# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T03:20:09+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section E Crystallographic Communications') AND volume = 76 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
"2021971","6.1728","0.0003","12.3721","0.0006","13.6788","0.0007","84.302","0.002","80.846","0.002","80.909","0.002","1015.45","0.09","100","2","100","2","","","","","","","","3","P 1","P 1","1","Sclareol methanol monosolvate","(3<i>S</i>)-4-[(<i>S</i>)-3-Hydroxy-3-methylpent-4-en-1-yl]-3,4a,8,8-tetramethyldecahydronaphthalen-3-ol methanol monosolvate","","- C21 H40 O3 -","- C21 H40 O3 -","- C42 H80 O6 -","2","2","HB7890","Bibi, Memoona; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of the methanol solvate of sclareol, a labdane-type diterpenoid","Acta Crystallographica Section E Crystallographic Communications","2020","76","3","294","","10.1107/S2056989020001474","","","1.54178","CuKα","","0.0375","0.0373","","","0.11","0.1102","","","","","","1.014","","","","has coordinates,has Fobs","247943","2020-10-21","18:00:00",""
"2021993","8.4959","0.0002","9.6479","0.0002","8.7619","0.0002","90","","116.921","0.001","90","","640.36","0.03","299.16","","299.16","","","","","","","","","4","P 1 21 1","P 2yb","4","NA8","(<i>S</i>)-10-(Prop-2-yn-1-yl)pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11-dione","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","LH5947","Jeroundi, Dounia; Mazzah, Ahmed; Hökelek, Tuncer; El Hadrami, El Mestafa; Renard, Catherine; Haoudi, Amal; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione","Acta Crystallographica Section E Crystallographic Communications","2020","76","4","467","","10.1107/S2056989020002698","","","0.71073","MoKα","","0.0463","0.0389","","","0.0983","0.1032","","","","","","1.061","","","","has coordinates,has Fobs","248727","2020-10-21","18:00:00",""
"2022002","10.7997","0.0003","11.2319","0.0002","12.0225","0.0003","90","","95.184","0.002","90","","1452.38","0.06","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] bis(6-chloronicotinate) tetrahydrate]","","- C22 H30 Cl2 N4 Ni O12 -","- C22 H30 Cl2 N4 Ni O12 -","- C44 H60 Cl4 N8 Ni2 O24 -","2","0.5","HB7900","Politeo, Nives; Pisačić, Mateja; Đaković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","Synthesis and crystal structure of a 6-chloronicotinate salt of a one-dimensional cationic nickel(II) coordination polymer with 4,4′-bipyridine","Acta Crystallographica Section E Crystallographic Communications","2020","76","5","599","","10.1107/S2056989020004193","","","0.71073","MoKα","","0.0376","0.0285","","","0.0695","0.0738","","","","","","1.069","","","","has coordinates,has Fobs","250124","2020-10-21","18:00:00",""
"2022132","10.5601","0.0007","11.0044","0.0012","11.8145","0.001","80.212","0.008","69.124","0.007","78.565","0.007","1249.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]","","- C42 H39 Au3 Fe N12 O4 -","- C42 H39 Au3 Fe N12 O4 -","- C42 H39 Au3 Fe N12 O4 -","1","0.5","TX2022","Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of catena-poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]","Acta Crystallographica Section E Crystallographic Communications","2020","76","6","944","","10.1107/S2056989020006738","","","0.71073","MoKα","","0.0645","0.0501","","","0.1426","0.1555","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","252481","2020-10-21","18:00:00",""
"2022163","9.4078","0.0007","9.2511","0.0007","11.6953","0.0008","90","","105.722","0.008","90","","979.79","0.13","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5,8,11,14,17-Hexathia-[9.9](2,6,3,5)-pyrazinophane","","- C16 H24 N2 S6 -","- C16 H24 N2 S6 -","- C32 H48 N4 S12 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane","Acta Crystallographica Section E Crystallographic Communications","2020","76","7","977","","10.1107/S2056989020007057","","","0.71073","MoKα","","0.053","0.0424","","","0.1046","0.1084","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","252983","2020-10-21","18:00:00",""
"2022164","12.2613","0.0008","9.9564","0.0006","16.2828","0.0012","90","","90","","90","","1987.8","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,5,8,11,14,17-Hexathia-[9.9](2,5,3,6)-pyrazinophane","","- C16 H24 N2 S6 -","- C16 H24 N2 S6 -","- C64 H96 N8 S24 -","4","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane","Acta Crystallographica Section E Crystallographic Communications","2020","76","7","977","","10.1107/S2056989020007057","","","0.71073","MoKα","","0.0347","0.0245","","","0.0613","0.0635","","","","","","0.971","","","","has coordinates,has Fobs","252983","2020-10-21","18:00:00",""
"2022178","7.1138","0.0004","12.6827","0.0006","15.1613","0.0008","90","","100.571","0.002","90","","1344.67","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","VM2235","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine","Acta Crystallographica Section E Crystallographic Communications","2020","76","8","1173","","10.1107/S2056989020008567","","","0.71073","MoKα","","0.0609","0.0517","","","0.1125","0.1182","","","","","","1.065","","","","has coordinates,has Fobs","253758","2020-10-21","18:00:00",""
"2243214","9.6158","0.0005","19.8846","0.0011","10.3773","0.0006","90","","93.712","0.002","90","","1980.04","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Methyl-5-phenoxy-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one","","- C23 H18 N2 O2 S -","- C23 H18 N2 O2 S -","- C92 H72 N8 O8 S4 -","4","1","ZL2765","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly","Acta Crystallographica Section E","2020","76","1","48","52","10.1107/S205698901901658X","","","0.71073","MoKα","","0.0809","0.042","","","0.0948","0.1165","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","245307","2020-10-21","18:00:00",""
"2243215","9.4336","0.0004","20.6071","0.0009","10.5866","0.0004","90","","93.106","0.002","90","","2055","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[3-Methyl-5-(2-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-(thiophen-2-yl)prop-2-en-1-one","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","1","ZL2765","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly","Acta Crystallographica Section E","2020","76","1","48","52","10.1107/S205698901901658X","","","0.71073","MoKα","","0.0912","0.0446","","","0.1105","0.1417","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","245307","2020-10-21","18:00:00",""
"2243216","7.265","0.0007","32.864","0.003","5.8446","0.0006","90","","92.277","0.002","90","","1394.3","0.2","200","","200.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(3-Iodophenyl)-1-(4-iodophenyl)prop-2-en-1-one","","- C15 H10 I2 O -","- C15 H10 I2 O -","- C60 H40 I8 O4 -","4","1","IS5526","Spruce, Kieran J.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Cremeens, Matthew E.; D'ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Gabrielle I.; Warren, Stephen D.; Hall, Simon R.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(3-iodophenyl)-1-(4-iodophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2020","76","1","72","76","10.1107/S2056989019016402","","","0.71073","MoKα","","0.0402","0.037","","","0.0721","0.0731","","","","","","1.273","","","","has coordinates,has Fobs","245308","2020-10-21","18:00:00",""
"2243217","14.985","0.002","6.0116","0.0009","19.106","0.003","90","","106.796","0.005","90","","1647.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[(Anthracen-9-yl)methyl]amino}benzoic acid","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Ahmed, Adeeba; Faizi, Md. Serajul Haque; Ahmad, Aiman; Ahmad, Musheer; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid","Acta Crystallographica Section E","2020","76","1","62","65","10.1107/S2056989019016207","","","0.71073","MoKα","","0.0865","0.0482","","","0.1069","0.1407","","","","","","1.1227","","","","has coordinates,has Fobs","245309","2020-10-21","18:00:00",""
"2243218","10.4234","0.0004","14.3123","0.0005","13.6047","0.0005","90","","103.154","0.003","90","","1976.34","0.13","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C16 H30 Mn N2 O4 -","- C16 H30 Mn N2 O4 -","- C64 H120 Mn4 N8 O16 -","4","1","WM5524","Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt","Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)","Acta Crystallographica Section E","2020","76","1","66","71","10.1107/S2056989019016372","","","0.71073","MoKα","","0.0431","0.0344","","","0.0886","0.099","","","","","","1.06","","","","has coordinates,has Fobs","245310","2020-10-21","18:00:00",""
"2243219","10.2021","0.0003","15.4708","0.0004","12.4881","0.0004","90","","95.382","0.003","90","","1962.37","0.1","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')iron(II)","","- C16 H30 Fe N2 O4 -","- C16 H30 Fe N2 O4 -","- C64 H120 Fe4 N8 O16 -","4","1","","Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt","Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)","Acta Crystallographica Section E","2020","76","1","66","71","10.1107/S2056989019016372","","","0.71073","MoKα","","0.0405","0.0311","","","0.0798","0.0862","","","","","","1.037","","","","has coordinates,has Fobs","245310","2020-10-21","18:00:00",""
"2243220","10.2335","0.0003","14.2134","0.0006","13.6738","0.0005","90","","101.208","0.003","90","","1950.96","0.12","200","","200.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C16 H30 N2 O4 Zn -","- C16 H30 N2 O4 Zn -","- C64 H120 N8 O16 Zn4 -","4","1","","Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt","Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)","Acta Crystallographica Section E","2020","76","1","66","71","10.1107/S2056989019016372","","","0.71073","MoKα","","0.033","0.0268","","","0.0744","0.0761","","","","","","1.068","","","","has coordinates,has Fobs","245310","2020-10-21","18:00:00",""
"2243221","8.8137","0.001","10.4801","0.0012","15.0785","0.0017","85.684","0.007","77.984","0.007","84.965","0.007","1354.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II)","","- C28 H18 Cl4 Co N4 O2 -","- C28 H18 Cl4 Co N4 O2 -","- C56 H36 Cl8 Co2 N8 O4 -","2","1","HB7872","Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue","Acta Crystallographica Section E","2020","76","1","53","61","10.1107/S2056989019016529","","","0.71073","MoKα","","0.079","0.0452","","","0.0976","0.1115","","","","","","1.038","","","","has coordinates,has Fobs","245311","2020-10-21","18:00:00",""
"2243222","8.13","0.0007","8.5072","0.0011","9.7386","0.0013","83.24","0.004","87.646","0.003","81.533","0.004","661.39","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)copper(II)","","- C28 H18 Cl4 Cu N4 O2 -","- C28 H18 Cl4 Cu N4 O2 -","- C28 H18 Cl4 Cu N4 O2 -","1","0.5","HB7872","Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue","Acta Crystallographica Section E","2020","76","1","53","61","10.1107/S2056989019016529","","","0.71073","MoKα","","0.0394","0.0326","","","0.0877","0.0933","","","","","","1.046","","","","has coordinates,has Fobs","245311","2020-10-21","18:00:00",""
"2243223","9.0872","0.0002","21.1012","0.0004","11.7134","0.0002","90","","112.654","0.001","90","","2072.77","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-[(1-benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one monohydrate","","- C24 H23 N5 O2 -","- C24 H23 N5 O2 -","- C96 H92 N20 O8 -","4","1","LH5940","Saber, Asmaa; Sebbar, Nada Kheira; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one monohydrate","Acta Crystallographica Section E","2020","76","1","95","101","10.1107/S2056989019016876","","","1.54178","CuKα","","0.0682","0.0475","","","0.1018","0.1126","","","","","","1.056","","","","has coordinates,has Fobs","245478","2020-10-21","18:00:00",""
"2243224","16.9457","0.0008","9.6453","0.0005","12.1052","0.0006","90","","116.986","0.001","90","","1763.12","0.15","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,2,5-Trimethyl-1,3-dioxane-5-carboxylic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C64 H112 O32 -","8","1","HB7867","Giesen, Joseph A.; Grayson, Scott M.; Mague, Joel T.","Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride","Acta Crystallographica Section E","2020","76","1","86","90","10.1107/S2056989019016670","","","0.71073","MoKα","","0.0437","0.0391","","","0.1098","0.1131","","","","","","1.066","","","","has coordinates,has Fobs","245479","2020-10-21","18:00:00",""
"2243225","10.355","0.004","11.928","0.005","14.496","0.006","73.128","0.005","84.9","0.005","89.499","0.006","1706.3","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2,5-Trimethyl-1,3-dioxane-5-carboxylic anhydride","","- C16 H26 O7 -","- C16 H26 O7 -","- C64 H104 O28 -","4","2","HB7867","Giesen, Joseph A.; Grayson, Scott M.; Mague, Joel T.","Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride","Acta Crystallographica Section E","2020","76","1","86","90","10.1107/S2056989019016670","","","0.71073","MoKα","","0.046","0.0399","","","0.1031","0.1088","","","","","","1.038","","","","has coordinates,has Fobs","245479","2020-10-21","18:00:00",""
"2243226","20.2125","0.0008","9.6926","0.0004","10.1458","0.0003","90","","100.445","0.001","90","","1954.74","0.13","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1<i>R</i>*, 8<i>S</i>)-2-acetamidooctahydropyrrolizin-4-ium chloride‒<i>N</i>-[(1<i>R</i>, 8<i>S</i>)hexahydro-1<i>H</i>-pyrrolizin-2-yl)acetamide (1/1)","","- C18 H33 Cl N4 O2 -","- C18 H33 Cl N4 O2 -","- C72 H132 Cl4 N16 O8 -","4","0.5","HB7870","Bhardwaj, Minakshi; Ai, Qianxiang; Parkin, Sean R.; Grossman, Robert B.","An unusually short intermolecular N—H···N hydrogen bond in crystals of the hemi-hydrochloride salt of 1-<i>exo</i>-acetamidopyrrolizidine","Acta Crystallographica Section E","2020","76","1","77","81","10.1107/S2056989019016517","","","0.71073","MoKα","","0.0397","0.0371","","","0.0942","0.096","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","245480","2020-10-21","18:00:00",""
"2243227","15.954","0.004","5.4599","0.0012","28.397","0.006","90","","92.299","0.005","90","","2471.6","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis{4-[(2-hydroxy-3-nitro-5-methoxybenzylidene)amino]phenyl} ether","2-[<i>N</i>-(4-{4-[(2-Hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenoxy}phenyl)carboximidoyl]-4-methoxy-6-nitrophenol","","- C28 H22 N4 O9 -","- C28 H22 N4 O9 -","- C112 H88 N16 O36 -","4","0.5","RZ5267","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Mohiuddin, Md.; Sarker, Md. Sohug; Salim, Mohammad; Alam, Md. Mahbubul","Bis{4-[(2-hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenyl} ether","Acta Crystallographica Section E","2020","76","1","91","94","10.1107/S2056989019016852","","","0.71073","MoKα","","0.1041","0.0996","","","0.3485","0.3525","","","","","","1.148","","","","has coordinates,has Fobs","245481","2020-10-21","18:00:00",""
"2243228","26.7742","0.0016","20.8916","0.0014","8.4254","0.0005","90","","93.46","0.003","90","","4704.2","0.5","100.15","","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(2-nitrobenzoate)","","- C18 H28 Cu N6 O10 -","- C18 H28 Cu N6 O10 -","- C144 H224 Cu8 N48 O80 -","8","2","LH5937","Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate","Acta Crystallographica Section E","2020","76","1","111","114","10.1107/S2056989019016669","","","0.71073","MoKα","","0.069","0.0557","","","0.1267","0.1379","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","245574","2020-10-21","18:00:00",""
"2243229","26.637","0.0009","10.7617","0.0004","20.2108","0.0007","90","","121.932","0.001","90","","4916.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(1<i>R</i>,4<i>S</i>)-1,7,7-Trimethyl-2-oxobicyclo[2.2.1]heptan-3-\ ylidene]hydrazinecarbothioamide‒\ 1-[(1<i>S</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-\ ylidene]hydrazinecarbothioamide (1/1)","","- C11 H17 N3 O S -","- C11 H17 N3 O S -","- C176 H272 N48 O16 S16 -","16","2","","Pires, Fabrício Carvalho; Bresolin, Leandro; Gervini, Vanessa Carratu; Tirloni, Bárbara; Bof de Oliveira, Adriano","Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1<i>R</i>,4<i>S</i>)- and 1-[(1<i>S</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2020","76","1","115","120","10.1107/S2056989019016980","","x-ray","1.54178","CuKα","","0.043","0.043","","","0.1122","0.1122","","","","","","1.066","","","","has coordinates,has Fobs","245575","2020-10-21","18:00:00",""
"2243230","9.6543","0.0002","9.9235","0.0002","14.167","0.0003","100.755","0.002","108.318","0.002","95.617","0.002","1247.9","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide; bis(benzoic acid)","","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","- C56 H52 N8 O12 -","2","1","HB7875","Tan, Sang Loon; Tiekink, Edward R. T.","The 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","1","102","110","10.1107/S2056989019016840","","","1.54184","CuKα","","0.0373","0.0338","","","0.0896","0.0932","","","","","","1.018","","","","has coordinates,has Fobs","245576","2020-10-21","18:00:00",""
"2243231","11.9227","0.0005","12.1592","0.0006","14.9217","0.0007","104.293","0.003","101.701","0.003","112.585","0.003","1825.27","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[bis[(2,2';6',2''-terpyridine)manganese(II)]-μ~4~-pentathiodiantimonato] tetrahydrate]","","- C30 H30 Mn2 N6 O4 S5 Sb2 -","- C30 H30 Mn2 N6 O4 S5 Sb2 -","- C60 H60 Mn4 N12 O8 S10 Sb4 -","2","1","LH5938","Danker, Felix; Näther, Christian; Bensch, Wolfgang","Synthesis and crystal structure of <i>catena</i>-poly[[bis[(2,2';6',2''-terpyridine)manganese(II)]-μ~4~-pentathiodiantimonato] tetrahydrate] showing a 1D MnSbS network","Acta Crystallographica Section E","2020","76","1","32","37","10.1107/S2056989019016268","","","0.71073","MoKα","","0.0655","0.054","","","0.1729","0.1823","","","","","","1.067","","","","has coordinates,has Fobs","246415","2020-10-21","18:00:00",""
"2243232","4.8718","0.0001","15.9511","0.0001","13.9575","0.0001","90","","96.945","0.001","90","","1076.69","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]bis{(thiocyanato-κ<i>S</i>)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ<i>S</i>]silver(I)}","","- C10 H12 Ag2 N14 S6 -","- C10 H12 Ag2 N14 S6 -","- C20 H24 Ag4 N28 S12 -","2","0.5","HB7868","Kreaunakpan, Janjira; Chainok, Kittipong; Halcovitch, Nathan R.; Tiekink, Edward R. T.; Pirojsirikul, Teerapong; Saithong, Saowanit","Crystal and molecular structures of a binuclear mixed ligand complex of silver(I) with thiocyanate and 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","1","42","47","10.1107/S2056989019016359","","x-ray","1.54184","CuKα","","0.0255","0.0252","","","0.066","0.0661","","","","","","1.174","","","","has coordinates,has Fobs","246416","2020-10-21","18:00:00",""
"2243233","12.4962","0.0005","9.9237","0.0004","29.5925","0.0015","90","","90","","90","","3669.7","0.3","293.2","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","","- C15 H22 N4 O5 S -","- C15 H22 N4 O5 S -","- C120 H176 N32 O40 S8 -","8","1","","Ivachtchenko, Alexandre V.; Kovalenko, Sergiy M.; Kravchenko, Dmitry V.; Mitkin, Oleg D.; Ivanov, Vladimir V.; Langer, Thierry","Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","Acta Crystallographica Section E","2020","76","1","12","17","10.1107/S2056989019015986","","x-ray","0.71073","MoKα","","0.0652","0.0496","","","0.1175","0.1268","","","","","","1.06","","","","has coordinates,has Fobs","246417","2020-10-21","18:00:00",""
"2243234","16.456","0.007","10.42","0.002","26.391","0.007","90","","90.031","0.012","90","","4525","2","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]-6-phenylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H19 Cl N4 S -","- C26 H19 Cl N4 S -","- C208 H152 Cl8 N32 S8 -","8","2","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.0908","0.0596","","","0.1506","0.1765","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243235","15.34","0.001","11.1619","0.0007","15.385","0.001","90","","119.48","0.01","90","","2293.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorobenzyl)-6-(4-fluorophenyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H18 Cl F N4 S -","- C26 H18 Cl F N4 S -","- C104 H72 Cl4 F4 N16 S4 -","4","1","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.093","0.0495","","","0.1123","0.131","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243236","9.5735","0.0008","9.686","0.0009","25.644","0.002","90","","90","","90","","2377.9","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","6-(4-Bromophenyl)-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H18 Br Cl N4 S -","- C26 H18 Br Cl N4 S -","- C104 H72 Br4 Cl4 N16 S4 -","4","1","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.0783","0.0447","","","0.0916","0.1001","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243237","8.7024","0.0003","9.8709","0.0004","13.1621","0.0005","90.3822","0.0019","108.961","0.0018","97.3571","0.0018","1059.08","0.07","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","2,2'-[(2-Nitrophenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-enone)","","- C23 H27 N O6 -","- C23 H27 N O6 -","- C46 H54 N2 O12 -","2","1","DX2021","Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.","Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives","Acta Crystallographica Section E","2020","76","2","125","131","10.1107/S2056989019017018","","","0.71073","MoKα","","0.0689","0.0542","","","0.1432","0.1543","","","","","","1.036","","","","has coordinates,has Fobs","246734","2020-10-21","18:00:00",""
"2243238","10.8854","0.0004","25.2446","0.001","15.3665","0.0006","90","","100.761","0.0019","90","","4148.4","0.3","100","2","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C184 H232 N8 O48 -","8","2","DX2021","Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.","Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives","Acta Crystallographica Section E","2020","76","2","125","131","10.1107/S2056989019017018","","","0.71073","MoKα","","0.0456","0.0392","","","0.1025","0.1077","","","","","","1.039","","","","has coordinates,has Fobs","246734","2020-10-21","18:00:00",""
"2243239","11.6527","0.0003","18.1986","0.0004","12.3435","0.0003","90","","114.876","0.0012","90","","2374.74","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(anthracen-9-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C116 H116 N4 O12 -","4","1","DX2021","Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.","Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives","Acta Crystallographica Section E","2020","76","2","125","131","10.1107/S2056989019017018","","","0.71073","MoKα","","0.0672","0.0484","","","0.1218","0.1346","","","","","","1.039","","","","has coordinates,has Fobs","246734","2020-10-21","18:00:00",""
"2243240","5.592","0.001","7.2162","0.0012","8.4021","0.0013","109.148","0.006","93.889","0.007","103.282","0.006","307.92","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,2,4-Triazolium hydrogen oxalate","","- C4 H5 N3 O4 -","- C4 H5 N3 O4 -","- C8 H10 N6 O8 -","2","1","WM5529","Ponjan, Nutcha; Aroonchat, Purita; Chainok, Kittipong","Crystal structure and Hirshfeld surface analysis of 1,2,4-triazolium hydrogen oxalate","Acta Crystallographica Section E","2020","76","2","137","140","10.1107/S2056989019017304","","x-ray","0.71073","MoKα","","0.0462","0.0371","","","0.0941","0.1018","","","","","","1.07","","","","has coordinates,has Fobs","246735","2020-10-21","18:00:00",""
"2243241","14.0717","0.0008","6.4811","0.0004","26.767","0.002","90","","90","","90","","2441.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-{[(3-Chlorophenyl)imino]methyl}-6-methylphenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","1","MW2154","Saraçoğlu, Hanife; Doğan, Onur Erman; Ağar, Tuğgan; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure, DFT and MEP study of (<i>E</i>)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol","Acta Crystallographica Section E","2020","76","2","141","144","10.1107/S2056989019017353","","","0.71073","MoKα","","0.0493","0.0393","","","0.1114","0.1167","","","","","","1.047","","","","has coordinates,has Fobs","246736","2020-10-21","18:00:00",""
"2243242","6.8473","0.0001","12.5587","0.0002","19.809","0.0003","90","","90","","90","","1703.44","0.04","150.6","0.9","150.6","0.9","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(Adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C18 H19 Br F N3 S -","- C18 H19 Br F N3 S -","- C72 H76 Br4 F4 N12 S4 -","4","1","XI2020","Abdelrazeq, Alaa S.; Ghabbour, Hazem A.; El-Emam, Ali A.; Osman, Doaa Ahmed; Garcia-Granda, Santiago","Synthesis and crystal structure of 3-(adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","2","162","166","10.1107/S2056989020000092","","x-ray","1.54184","CuKα","","0.0412","0.0347","","","0.0776","0.0812","","","","","","1.051","","","","has coordinates,has Fobs","246737","2020-10-21","18:00:00",""
"2243243","7.9698","0.0005","10.1104","0.0006","11.5208","0.0007","113.461","0.002","105.685","0.003","91.805","0.002","809.63","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-trihydro(pentafluoropheny)borato-tetrakis(tetrahydrofuran)disodium","","- C28 H38 B2 F10 Na2 O4 -","- C28 H38 B2 F10 Na2 O4 -","- C28 H38 B2 F10 Na2 O4 -","1","0.5","IS5529","Tanaka, Ryo; Shiono, Takeshi","Crystal structure of di-μ-trihydro(pentafluorophenyl)borato-tetrakis(tetrahydrofuran)disodium","Acta Crystallographica Section E","2020","76","2","145","147","10.1107/S2056989019017201","","","0.71069","MoKα","","0.0506","0.0469","","","0.1411","0.1463","","","","","","1.075","","","","has coordinates,has Fobs","246738","2020-10-21","18:00:00",""
"2243244","26.2059","0.0018","4.8119","0.0003","12.8084","0.0009","90","","90","","90","","1615.14","0.19","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>'-[(1-Chloro-3,4-dihydronaphthalen-2-yl)methylidene]\ benzohydrazide monohydrate","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","IS5528","Arjun, H. A.; Anil Kumar, G. N.; Elancheran, R.; Kabilan, S.","Crystal structure, DFT and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2020","76","2","132","136","10.1107/S2056989019017183","","","0.71073","MoKα","","0.0894","0.045","","","0.1161","0.1514","","","","","","1.027","","","","has coordinates,has Fobs","246739","2020-10-21","18:00:00",""
"2243245","9.3322","0.0002","7.7341","0.0002","20.1143","0.0004","90","","90.002","0.002","90","","1451.77","0.06","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquadichlorido{<i>N</i>-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate","","- C12 H14 Cl2 Cu N2 O2 -","- C12 H14 Cl2 Cu N2 O2 -","- C48 H56 Cl8 Cu4 N8 O8 -","4","1","EX2027","Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio F.; Nossa González, Diana L.; Loaiza, Alix E.; Echeverría, Gustavo A.; Piro, Oscar E.; Tobón, Yeny A.; Ben Tayeb, Karima; Gómez Castaño, Jovanny A.","Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{<i>N</i>-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate","Acta Crystallographica Section E","2020","76","2","148","154","10.1107/S2056989019017213","","x-ray","0.71073","MoKα","","0.0525","0.0345","","","0.0704","0.0796","","","","","","1.039","","","","has coordinates","246740","2020-10-21","18:00:00",""
"2243246","7.4203","0.0002","10.3241","0.0003","18.4191","0.0006","90","","95.471","0.002","90","","1404.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O5 S -","- C12 H15 N3 O5 S -","- C48 H60 N12 O20 S4 -","4","1","HB7880","Tan, Sang Loon; Jotani, Mukesh M.; Tiekink, Edward R. T.","3,3-Bis(2-hydroxyethyl)-1-(4-nitrobenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","2","155","161","10.1107/S2056989019017328","","","0.71073","MoKα","","0.0491","0.0371","","","0.0867","0.0933","","","","","","1.043","","","","has coordinates,has Fobs","246741","2020-10-21","18:00:00",""
"2243247","7.8325","0.0007","9.3406","0.0008","8.4471","0.0007","90","","108.727","0.002","90","","585.27","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","Potassium phosphate heptahydrate","","- D14 K3 O11 P -","- D14 K3 O11 P -","- D28 K6 O22 P2 -","2","1","HB7876","Weil, Matthias; Stöger, Berthold","Crystal structure of the deuterated heptahydrate of potassium phosphate, K~3~PO~4~·7D~2~O","Acta Crystallographica Section E","2020","76","2","177","179","10.1107/S2056989020000201","","x-ray","0.71073","MoKα","","0.0167","0.0156","","","0.0198","0.0201","","","","1.03","1.03","1.02","","","","has coordinates,has Fobs","246742","2020-10-21","18:00:00",""
"2243248","14.859","0.003","17.747","0.004","9.995","0.002","90","","101.06","0.03","90","","2586.8","1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-(4-Methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","2","FF2164","Ushakov, Ivan E.; Odin, Ivan S.; Gloukhov, Pavel A.; Golovanov, Alexander A.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.","Crystal structures of (<i>E</i>)-5-(4-methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one and [3,4-bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)","Acta Crystallographica Section E","2020","76","2","192","196","10.1107/S2056989020000055","","","0.80248","synchrotron","","0.0776","0.0601","","","0.1427","0.1574","","","","","","1.023","","","","has coordinates,has Fobs","246861","2020-10-21","18:00:00",""
"2243249","12.272","0.003","18.72","0.004","11.425","0.002","90","","115.85","0.003","90","","2362.1","0.9","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3,4-Bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","FF2164","Ushakov, Ivan E.; Odin, Ivan S.; Gloukhov, Pavel A.; Golovanov, Alexander A.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.","Crystal structures of (<i>E</i>)-5-(4-methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one and [3,4-bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)","Acta Crystallographica Section E","2020","76","2","192","196","10.1107/S2056989020000055","","","0.71073","MoKα","","0.1222","0.0563","","","0.1072","0.1297","","","","","","0.992","","","","has coordinates,has Fobs","246861","2020-10-21","18:00:00",""
"2243250","4.6858","0.0002","5.9178","0.0003","9.0167","0.0004","84.889","0.002","87.284","0.002","80.785","0.002","245.68","0.02","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","Strontium thiosulfate monohydrate","","- H2 O4 S2 Sr -","- H2 O4 S2 Sr -","- H4 O8 S4 Sr2 -","2","1","WM5535","Klein, Wilhelm","Crystal structure of strontium thiosulfate monohydrate","Acta Crystallographica Section E","2020","76","2","197","200","10.1107/S2056989020000353","","","0.71073","MoKα","","0.0247","0.0243","","","0.0609","0.0613","","","","","","1.102","","","","has coordinates,has Fobs","246998","2020-10-21","18:00:00",""
"2243251","15.5162","0.0007","6.8288","0.0003","24.5631","0.0012","90","","104.683","0.001","90","","2517.6","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloroform monosolvate","","- C45 H3 Br8 Cl3 F20 N4 -","- C45 H3 Br8 Cl3 F20 N4 -","- C90 H6 Br16 Cl6 F40 N8 -","2","1","TX2016","Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O.","Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate","Acta Crystallographica Section E","2020","76","2","214","220","10.1107/S2056989020000432","","x-ray","0.71073","MoKα","","0.0241","0.0204","","","0.0422","0.0433","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","246999","2020-10-21","18:00:00",""
"2243252","21.524","0.009","9.545","0.004","26.02","0.011","90","","107.426","0.007","90","","5100","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin tetrahydrofuran monosolvate","","- C48 H10 Br8 F20 N4 O -","- C48 H10 Br8 F20 N4 O -","- C192 H40 Br32 F80 N16 O4 -","4","1","","Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O.","Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate","Acta Crystallographica Section E","2020","76","2","214","220","10.1107/S2056989020000432","","x-ray","0.71073","MoKα","","0.0758","0.054","","","0.0891","0.0949","","","","","","1.208","","","","has coordinates,has disorder,has Fobs","246999","2020-10-21","18:00:00",""
"2243253","6.2502","0.0003","15.7915","0.0006","20.7395","0.0009","90","","90","","90","","2046.99","0.15","100","2","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(3,4-Dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C104 H100 N12 O4 -","4","1","ZL2767","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Gaspar, Alexandra; Mesiti, Francesco","The synthesis, crystal structure and Hirshfeld analysis of 4-(3,4-dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide","Acta Crystallographica Section E","2020","76","2","201","207","10.1107/S2056989020000298","","x-ray","0.71075","MoKα","","0.0513","0.0442","","","0.0915","0.0939","","","","","","1.078","","","","has coordinates,has Fobs","247000","2020-10-21","18:00:00",""
"2243254","9.655","0.002","5.882","0.0015","12.18","0.003","90","","96.275","0.003","90","","687.6","0.3","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methyl-<i>N</i>-(4-methylbenzyl)benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","WM5537","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 4-methyl-<i>N</i>-(4-methylbenzyl)benzenesulfonamide","Acta Crystallographica Section E","2020","76","2","235","238","10.1107/S2056989020000535","","","0.71073","MoKα","","0.0383","0.0349","","","0.0896","0.0921","","","","","","1.043","","","","has coordinates,has Fobs","247001","2020-10-21","18:00:00",""
"2243255","7.5596","0.0002","9.7402","0.0003","20.5332","0.0007","90","","94.345","0.003","90","","1507.56","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-2-bromonicotinato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)","","- C24 H16 Br4 Cu2 N4 O10 -","- C24 H16 Br4 Cu2 N4 O10 -","- C48 H32 Br8 Cu4 N8 O20 -","2","0.5","HB7877","Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex","Acta Crystallographica Section E","2020","76","2","225","230","10.1107/S2056989020000390","","","0.71073","MoKα","","0.0544","0.0501","","","0.1308","0.1339","","","","","","1.058","","","","has coordinates,has Fobs","247002","2020-10-21","18:00:00",""
"2243256","12.6157","0.0003","16.9629","0.0004","22.2759","0.0006","90","","90","","90","","4767","0.2","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tris(2-oxopropyl)selanium 1-ammonioundecafluorododecaborate","","- C9 H18 B12 F11 N O3 Se -","- C9 H18 B12 F11 N O3 Se -","- C72 H144 B96 F88 N8 O24 Se8 -","8","1","PK2622","Jenne, Carsten; Nierstenhöfer, Marc C.","[Se(CH~2~C(O)CH~3~)~3~][B~12~F~11~NH~3~]: The first selenium cation with three β-ketone substituents","Acta Crystallographica Section E","2020","76","2","221","224","10.1107/S2056989020000481","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0805","0.0868","","","","","","1.03","","","","has coordinates,has Fobs","247003","2020-10-21","18:00:00",""
"2243257","8.0634","0.0001","7.7088","0.0001","16.441","0.0003","90","","90","","90","","1021.96","0.03","300","0.1","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-Iodo-4-(pentafluoro-λ^6^-sulfanyl)benzonitrile","","- C7 H3 F5 I N S -","- C7 H3 F5 I N S -","- C28 H12 F20 I4 N4 S4 -","4","0.5","DX2019","González Espiet, Jean C.; Cintrón Cruz, Juan A.; Piñero Cruz, Dalice M.","Structural characterization and Hirshfeld surface analysis of 2-iodo-4-(pentafluoro-λ^6^-sulfanyl)benzonitrile","Acta Crystallographica Section E","2020","76","2","231","234","10.1107/S2056989020000365","","","1.54184","CuKα","","0.0435","0.0417","","","0.1098","0.1114","","","","","","1.033","","","","has coordinates,has Fobs","247004","2020-10-21","18:00:00",""
"2243258","4.7131","0.0003","11.6998","0.0008","13.5696","0.0008","85.225","0.005","81.139","0.005","87.379","0.005","736.35","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine:","","- C13 H18 N2 O S2 -","- C13 H18 N2 O S2 -","- C26 H36 N4 O2 S4 -","2","1","HB7887","Rusli, Aqilah Fasihah; Kwong, Huey Chong; Crouse, Karen A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(<i>E</i>)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","2","208","213","10.1107/S2056989020000328","","","0.71073","MoKα","","0.0847","0.0553","","","0.1466","0.1735","","","","","","1.034","","","","has coordinates,has Fobs","247005","2020-10-21","18:00:00",""
"2243259","9.9955","0.0005","15.8364","0.0007","31.1356","0.0014","90","","90","","90","","4928.5","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl 2,2'-[((2<i>S</i>,2'<i>S</i>)-2,2'-{[(2<i>S</i>,2'<i>S</i>)-1,1'-([1,1'-biphenyl]-2,2'-dicarbonyl)bis(pyrrolidine-1,2-diyl-2-carbonyl)]bis(azanediyl)}bis(3-phenylpropanoyl))bis(azanediyl)](2<i>S</i>,2'<i>S</i>)-dipropionate hemihydrate","","- C50 H57 N6 O10.5 -","- C50 H57 N6 O10.5 -","- C200 H228 N24 O42 -","4","1","VM2226","Le, Thuy Quynh; Nguyen, Xuan Tu; Nguyen, Hung Huy; Mac, Dinh Hung; Bui, Thai Thanh Thu","Crystal structure of a tripeptide biphenyl hybrid C~50~H~56~N~6~O~10~·0.5H~2~O","Acta Crystallographica Section E","2020","76","2","257","260","10.1107/S2056989020000584","","","0.71073","MoKα","","0.0602","0.0476","","","0.1235","0.13","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","247082","2020-10-21","18:00:00",""
"2243260","9.9766","0.0008","17.7991","0.0014","18.8402","0.0014","90","","95.51","0.004","90","","3330.1","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ-1κ<i>N</i>:2(η^2^),κ^2^<i>N</i>,<i>N</i>'-(2-{[2,6-Bis(propan-2-yl)\ phenyl]azanidyl}ethyl)[2-(1<i>H</i>-inden-1-yl)ethyl]azanido)(1,4,7,10,13,16-\ hexaoxacyclooctadecane-1κ^6^<i>O</i>)lithiumtin","","- C33 H47 Li N2 O4 Sn -","- C33 H47 Li N2 O4 Sn -","- C132 H188 Li4 N8 O16 Sn4 -","4","1","FF2165","Bischof, Tobias; Evans, Kieren J.; Haddow, Mairi F.; Mansell, Stephen M.","An indenide-tethered N-heterocyclic stannylene","Acta Crystallographica Section E","2020","76","2","254","256","10.1107/S205698902000047X","","","0.71073","MoKα","","0.0811","0.0416","","","0.0813","0.0957","","","","","","1.035","","","","has coordinates","247083","2020-10-21","18:00:00",""
"2243261","6.8249","0.0002","14.3395","0.0005","8.9089","0.0003","90","","106.678","0.004","90","","835.2","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-3-methoxy-5-nitrobenzaldehyde","","- C8 H7 N O5 -","- C8 H7 N O5 -","- C32 H28 N4 O20 -","4","1","SU5534","Vusak, Vitomir; Vusak, Darko; Molcanov, Kresimir; Ernest, Mestrovic","Synthesis, crystal structure and spectroscopic and Hirshfeld surface analysis of 4-hydroxy-3-methoxy-5-nitrobenzaldehyde","Acta Crystallographica Section E","2020","76","2","239","244","10.1107/S2056989020000225","","","1.54184","CuKα","","0.0424","0.0404","","","","0.1735","","","","","","0.808","","","","has coordinates,has Fobs","247084","2020-10-21","18:00:00",""
"2243262","9.9401","0.0002","11.2002","0.0002","12.3308","0.0003","78.871","0.002","78.816","0.002","81.992","0.002","1313.98","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(pyridin-4-ylmethyl)ethanediamide‒4-chlorobenzoic acid (1/2)","","- C28 H24 Cl2 N4 O6 -","- C28 H24 Cl2 N4 O6 -","- C56 H48 Cl4 N8 O12 -","2","1","HB7889","Tan, Sang Loon; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide and 4-chlorobenzoic acid","Acta Crystallographica Section E","2020","76","2","245","253","10.1107/S2056989020000572","","","1.54184","CuKα","","0.0369","0.0315","","","0.0861","0.0904","","","","","","1.029","","","","has coordinates,has Fobs","247085","2020-10-21","18:00:00",""
"2243263","12.1111","0.0008","7.2385","0.0003","16.1716","0.0012","90","","94.73","0.008","90","","1412.87","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)bis(methanol-κ<i>N</i>)iron(II)","","- C28 H26 Fe N4 O4 S2 -","- C28 H26 Fe N4 O4 S2 -","- C56 H52 Fe2 N8 O8 S4 -","2","0.5","LH5944","Wellm, Carsten; Näther, Christian","Crystal structure, synthesis and thermal properties of bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)bis(methanol-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2020","76","2","276","280","10.1107/S2056989020001152","","","0.71073","MoKα","","0.0421","0.0372","","","0.1011","0.1043","","","","","","1.031","","","","has coordinates,has Fobs","247438","2020-10-21","18:00:00",""
"2243264","6.8071","0.0006","23.8031","0.0016","13.6302","0.001","90","","97.476","0.009","90","","2189.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua[3-oxo-1,3-bis(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate","","- C13 H23 Br3 N2 Ni O8 -","- C13 H23 Br3 N2 Ni O8 -","- C52 H92 Br12 N8 Ni4 O32 -","4","1","ZL2768","Westcott, Barry L.; Crundwell, Guy; Alicea-Velázquez, Nilda L.","Tetraaqua[3-oxo-1,3-bis(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate","Acta Crystallographica Section E","2020","76","2","270","272","10.1107/S205698902000081X","","","0.71073","MoKα","","0.0668","0.0433","","","0.1086","0.125","","","","","","1.047","","","","has coordinates,has Fobs","247439","2020-10-21","18:00:00",""
"2243265","15.7831","0.0002","14.0136","0.0002","30.5583","0.0003","90","","90","","90","","6758.83","0.15","94.98","","94.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]","","- C44.836 H83.674 Ba7 O33.892 -","- C44.838 H79.892 Ba7 O33.892 -","- C179.352 H319.568 Ba28 O135.568 -","4","0.5","WM5531","Samolová, Erika; Fábry, Jan","Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]","Acta Crystallographica Section E","2020","76","2","264","269","10.1107/S2056989020000924","","x-ray","0.71073","MoKα","","0.0324","","","","0.0696","0.071","","","","","","1.92","","","","has coordinates,has Fobs","247440","2020-10-21","18:00:00",""
"2243266","10.8054","0.0008","19.3938","0.0014","12.7467","0.001","90","","98.523","0.003","90","","2641.7","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","{4-[10,15,20-Tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II)","","- C50 H36 N6 O5 Zn -","- C50 H36 N6 O5 Zn -","- C100 H72 N12 O10 Zn2 -","2","1","HB7871","Carrie, Daniel; Roisnel, Thierry; Simonneaux, Gerard","Crystal structure of {4-[10,15,20-tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II)","Acta Crystallographica Section E","2020","76","2","273","275","10.1107/S2056989020001085","","x-ray","0.71073","MoKα","","0.0674","0.0508","","","0.1299","0.1388","","","","","","1.036","","","","has coordinates,has Fobs","247441","2020-10-21","18:00:00",""
"2243267","8.9961","0.0003","10.3755","0.0003","13.2565","0.0004","73.857","0.001","88.119","0.001","74.182","0.001","1142.32","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(2<i>Z</i>)-2-(2,4-Dichlorobenzylidene)-4-nonyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C24 H27 Cl2 N O S -","- C24 H27 Cl2 N O S -","- C48 H54 Cl4 N2 O2 S2 -","2","1","LH5943","Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; Redouane, Achour; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of (2<i>Z</i>)-2-(2,4-dichlorobenzylidene)-4-nonyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","Acta Crystallographica Section E","2020","76","2","281","287","10.1107/S2056989020001036","","","1.54178","CuKα","","0.0461","0.0411","","","0.1027","0.107","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","247442","2020-10-21","18:00:00",""
"2243268","11.0402","0.0004","13.8056","0.0008","14.419","0.0007","63.256","0.005","74.098","0.004","75.307","0.004","1865.63","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis{3,4,5-trimethoxy-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]benzohydrazidato}zinc(II)","","- C37 H46 N6 O10 Zn -","- C37 H36 N6 O10 Zn -","- C74 H72 N12 O20 Zn2 -","2","1","TX2017","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Seredyuk, Maksym","Crystal structure of the mixed methanol and ethanol solvate of bis{3,4,5-trimethoxy-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]benzohydrazidato}zinc(II)","Acta Crystallographica Section E","2020","76","3","303","308","10.1107/S2056989020000857","","","0.71069","MoKα","","0.0812","0.064","","","0.1712","0.1922","","","","","","0.895","","","","has coordinates,has Fobs","247942","2020-10-21","18:00:00",""
"2243269","16.1791","0.0019","5.9209","0.0006","12.5007","0.0014","90","","106.093","0.005","90","","1150.6","0.2","100","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1,2,3,4-tetrahydroisoquinoline trihydrate","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C40 H76 N4 O12 -","4","1","ZL2766","Langenohl, Felix; Otte, Felix; Strohmann, Carsten","Crystal structure of 2-methyl-1,2,3,4-tetrahydroisoquinoline trihydrate","Acta Crystallographica Section E","2020","76","3","298","302","10.1107/S2056989020000730","","x-ray","0.71073","MoKα","","0.0543","0.0413","","","0.0989","0.1088","","","","","","1.03","","","","has coordinates,has Fobs","247944","2020-10-21","18:00:00",""
"2243270","7.4892","0.0001","15.9488","0.0004","22.4266","0.0005","90","","94.896","0.002","90","","2668.94","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridinium] tetrachloridomanganate(II)","","- C26 H24 Cl4 Mn N6 -","- C26 H24 Cl4 Mn N6 -","- C104 H96 Cl16 Mn4 N24 -","4","1","LH5945","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Petrusenko, Svitlana R.; Melnyk, Andrii K.; Skelton, Brian W.","Crystal structure of imidazo[1,5-<i>a</i>]pyridinium-based hybrid salt (C~13~H~12~N~3~)~2~[MnCl~4~]","Acta Crystallographica Section E","2020","76","3","309","313","10.1107/S2056989020001425","","","0.71073","MoKα","","0.0692","0.0572","","","0.1752","0.1855","","","","","","1.153","","","","has coordinates,has Fobs","247945","2020-10-21","18:00:00",""
"2243271","13.0955","0.0001","15.3457","0.0002","9.0449","0.0001","90","","94.617","0.001","90","","1811.76","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1,3-di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene","","- C17 H29 Br O Si -","- C17 H29 Br O Si -","- C68 H116 Br4 O4 Si4 -","4","1","HB7886","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","x-ray","1.54184","CuKα","","0.0307","0.0306","","","0.0733","0.0733","","","","","","1.096","","","","has coordinates,has Fobs","247946","2020-10-21","18:00:00",""
"2243272","14.47237","0.00014","17.4657","0.0002","6.73933","0.00007","90","","90","","90","","1703.5","0.03","100","2","100.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-Di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene","","- C17 H30 O Si -","- C17 H30 O Si -","- C68 H120 O4 Si4 -","4","0.5","","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","x-ray","1.54184","CuKα","","0.0354","0.0333","","","0.0915","0.0929","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","247946","2020-10-21","18:00:00",""
"2243273","12.199","0.003","12.091","0.003","14.177","0.003","90","","90","","90","","2091.1","0.9","173","2","173.15","","","","","","","","","4","C m c m","-C 2c 2","63","","<i>N</i>-(2,6-Diisopropylphenyl)-1,1,1-trimethyl-<i>N</i>-(trimethylsilyl)silanamine","","- C18 H35 N Si2 -","- C18 H35 N Si2 -","- C72 H140 N4 Si8 -","4","0.25","","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","","0.71073","MoKα","","0.0588","0.0473","","","0.1173","0.126","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","247946","2020-10-21","18:00:00",""
"2243274","7.499","0.0015","8.079","0.0016","9.98","0.002","81.31","0.03","77.32","0.03","78.39","0.03","574.2","0.2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","1,4,8,11-Tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride","","- C14 H36 Cl4 N4 O8 -","- C14 H36 Cl4 N4 O8 -","- C14 H36 Cl4 N4 O8 -","1","0.5","VM2227","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride from synchrotron X-ray data","Acta Crystallographica Section E","2020","76","3","324","327","10.1107/S2056989020001322","","","0.61","synchrotron","","0.053","0.0522","","","0.1462","0.1473","","","","","","1.045","","","","has coordinates,has Fobs","248067","2020-10-21","18:00:00",""
"2243275","10.0731","0.0004","3.74576","0.00018","16.9805","0.0006","90","","95.808","0.004","90","","637.41","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]","","- C3 H3 N4 O3 Tl -","- C3 H2 N4 O3 Tl -","- C12 H8 N16 O12 Tl4 -","4","1","WM5530","Safyanova, Inna S.; Bondar, Oksana A.; Pavlishchuk, Anna V.; Omelchenko, Iryna V.; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A.","Crystal structure of poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]","Acta Crystallographica Section E","2020","76","3","328","331","10.1107/S2056989020001577","","","0.71073","MoKα","","0.0501","0.045","","","0.1053","0.1105","","","","","","1.07","","","","has coordinates,has Fobs","248068","2020-10-21","18:00:00",""
"2243276","9.2992","0.0008","9.2992","0.0008","7.2588","0.0007","90","","90","","120","","543.61","0.08","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Terbium trialuminium tetrakis(borate)","","- Al3 B4 O12 Tb -","- Al3 B4 O12 Tb -","- Al9 B12 O36 Tb3 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.0197","0.0197","","0.0212","","0.0212","","","1.08","","","1.08","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243277","9.2938","0.0005","9.2938","0.0005","7.2348","0.0004","90","","90","","120","","541.18","0.05","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Dysprosium trialuminium tetrakis(borate)","","- Al3 B4 Dy O12 -","- Al3 B4 Dy O12 -","- Al9 B12 Dy3 O36 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.008","0.0101","","0.008","","0.0101","","","1.14","","","1.14","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243278","9.2832","0.0003","9.2832","0.0003","7.2345","0.0003","90","","90","","120","","539.93","0.03","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Holmium trialuminium tetrakis(borate)","","- Al3 B4 Ho O12 -","- Al3 B4 Ho O12 -","- Al9 B12 Ho3 O36 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.0115","0.0115","","0.0149","","0.0149","","","1.08","","","1.08","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243279","25.8191","0.0007","11.9726","0.0003","7.1467","0.0002","90","","90.662","0.002","90","","2209.05","0.1","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~5~-2,5-dicarboxybenzene-1,4-dicarboxylato)strontium]","","- C10 H6 O9 Sr -","- C10 H6 O9 Sr -","- C80 H48 O72 Sr8 -","8","1","","Mokhtari, Samia; Chahrazed, Trifa; Bouacida, Sofiane; Boudaren, Chaouki; Abdelbaky, Mohammed S.M.; García-Granda, Santiago","Synthesis, crystal structure, and thermal properties of poly[aqua(μ~5~-2,5-dicarboxybenzene-1,4-dicarboxylato)strontium]","Acta Crystallographica Section E","2020","76","3","354","359","10.1107/S2056989020002005","","x-ray","0.71073","MoKα","","0.0636","0.0428","","","0.0797","0.0863","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","248206","2020-10-21","18:00:00",""
"2243280","7.2863","0.0002","13.9178","0.0005","11.6156","0.0004","90","","98.866","0.001","90","","1163.85","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1,3-Benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","JJ2219","Srhir, Mohamed; Sebbar, Nada Kheira; Hökelek, Tuncer; Moussaif, Ahmed; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-(1,3-benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one","Acta Crystallographica Section E","2020","76","3","370","376","10.1107/S2056989020001723","","","1.54178","CuKα","","0.0315","0.0304","","","0.0788","0.08","","","","","","1.063","","","","has coordinates,has Fobs","248207","2020-10-21","18:00:00",""
"2243281","17.99","0.003","14.2529","0.0016","5.8661","0.0008","90","","94.419","0.004","90","","1499.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-3-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C18 H13 Cl O2 -","- C18 H13 Cl O2 -","- C72 H52 Cl4 O8 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1077","0.055","","","0.108","0.1317","","","","","","1.045","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243282","18.286","0.006","14.277","0.004","5.8489","0.0017","90","","94.521","0.007","90","","1522.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-3-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C72 H52 Br4 O8 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1593","0.0434","","","0.0652","0.0886","","","","","","0.996","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243283","15.0182","0.0009","6.0579","0.0003","20.8286","0.0012","90","","110.573","0.002","90","","1774.11","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-3-(4-Chlorophenyl)-5-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydropyrazole-1-carbothioamide","","- C19 H16 Cl N3 O S -","- C19 H16 Cl N3 O S -","- C76 H64 Cl4 N12 O4 S4 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1025","0.0749","","","0.1245","0.1334","","","","","","1.241","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243284","15.1255","0.0013","6.0426","0.0005","21.026","0.002","90","","110.555","0.003","90","","1799.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-3-(4-Bromophenyl)-5-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydropyrazole-1-carbothioamide","","- C19 H16 Br N3 O S -","- C19 H16 Br N3 O S -","- C76 H64 Br4 N12 O4 S4 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.0812","0.0554","","","0.1011","0.1125","","","","","","1.16","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243285","11.7852","0.0015","7.5345","0.0011","20.599","0.003","90","","93.555","0.004","90","","1825.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-3-(4-Methoxyphenyl)-5-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydropyrazole-1-carbothioamide","","- C20 H19 N3 O2 S -","- C20 H19 N3 O2 S -","- C80 H76 N12 O8 S4 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1466","0.0509","","","0.0888","0.1179","","","","","","0.967","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243286","15.00386","0.00018","17.0413","0.0002","17.64915","0.00015","117.041","0.001","96.8906","0.0009","96.8281","0.001","3912.77","0.09","160","2","160","2","","","","","","","","4","P 1","P 1","1","","<i>catena</i>-Poly[[[diaqualithium]-μ-γ-cyclodextrin(1-)-[aqualithium]-μ-γ-cyclodextrin(1-)] pentadecahydrate]","","- C96 H194 Li2 O98 -","- C96 H179 Li2 O98 -","- C96 H179 Li2 O98 -","1","1","WM5534","Krukle-Berzina, Kristine; Belyakov, Sergey; Mishnev, Anatoly; Shubin, Kirill","Crystal structure of a two-dimensional metal‒organic framework assembled from lithium(I) and γ-cyclodextrin","Acta Crystallographica Section E","2020","76","3","349","353","10.1107/S2056989020001942","","","1.54184","CuKα","","0.0477","0.0458","","","0.1302","0.1327","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","248209","2020-10-21","18:00:00",""
"2243287","15.4741","0.0005","5.0224","0.0002","25.518","0.0009","90","","99.858","0.002","90","","1953.9","0.12","150","2","150","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","1,3-Bis[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propane","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","WM5538","Taia, Abdelmaoujoud; Essaber, Mohamed; Hökelek, Tuncer; Aatif, Abdeljalil; Mague, Joel T.; Alsalme, Ali; Al-Zaqri, Nabil","Crystal structure, Hirshfeld surface analysis and DFT studies of 1,3-bis[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propane","Acta Crystallographica Section E","2020","76","3","344","348","10.1107/S2056989020001681","","","1.54178","CuKα","","0.0517","0.041","","","0.1004","0.1088","","","","","","1.052","","","","has coordinates,has Fobs","248210","2020-10-21","18:00:00",""
"2243288","6.459","0.0002","7.3545","0.0003","31.3436","0.0012","90","","90","","90","","1488.91","0.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-5-[(<i>R</i>)-3-(4-Chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","IS5530","Oubella, Ali; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Daran, Jean-Claude; Auhmani, Abdelwahed","Crystal structure of (<i>R</i>)-5-[(<i>R</i>)-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone","Acta Crystallographica Section E","2020","76","3","400","403","10.1107/S2056989020001991","","","0.71073","MoKα","","0.0389","0.0352","","","0.1015","0.105","","","","","","1.193","","","","has coordinates,has Fobs","248281","2020-10-21","18:00:00",""
"2243289","12.837","0.0007","20.1241","0.0014","15.2568","0.0009","90","","110.871","0.006","90","","3682.7","0.4","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Diiodido{<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^}cadmium(II)","","- C36 H40 Cd I2 N6 -","- C36 H40 Cd I2 N6 -","- C144 H160 Cd4 I8 N24 -","4","0.5","XI2022","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","Acta Crystallographica Section E","2020","76","3","410","416","10.1107/S2056989020001644","","","0.71073","MoKα","","0.0467","0.0289","","","0.0674","0.0715","","","","","","0.953","","","","has coordinates,has Fobs","248282","2020-10-21","18:00:00",""
"2243290","11.9196","0.0008","12.1208","0.0008","13.919","0.001","98.222","0.008","100.313","0.008","107.58","0.007","1843.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Dichorido{<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^}zinc(II) dichloromethane 0.6-solvate","","- C36.6 H41.2 Cl3.2 N6 Zn -","- C36.6 H41.2 Cl3.2 N6 Zn -","- C73.2 H82.4 Cl6.4 N12 Zn2 -","2","1","XI2022","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","Acta Crystallographica Section E","2020","76","3","410","416","10.1107/S2056989020001644","","","0.71073","MoKα","","0.0961","0.0433","","","0.1041","0.1172","","","","","","0.785","","","","has coordinates,has Fobs","248282","2020-10-21","18:00:00",""
"2243291","13.3077","0.0005","10.3009","0.0004","13.9338","0.0005","90","","104.657","0.001","90","","1847.91","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-acetyl-3-isopropyl-2,6-diphenylpiperidine","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","1","DX2023","Periyannan, P.; Beemarao, M.; Karthik, K.; Ponnuswamy, S.; Ravichandran, K.","Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[<i>r</i>-2,<i>c</i>-6-diphenyl-<i>t</i>-3-(propan-2-yl)piperidin-1-yl]ethan-1-one","Acta Crystallographica Section E","2020","76","3","377","381","10.1107/S2056989020002042","","","0.71073","MoKα","","0.0817","0.0532","","","0.1442","0.1691","","","","","","1.02","","","","has coordinates,has Fobs","248283","2020-10-21","18:00:00",""
"2243292","9.969","0.0005","24.8828","0.0015","8.3049","0.0004","90","","94.356","0.001","90","","2054.13","0.19","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-3-[4-(9,9a-Dihydro-8a<i>H</i>-carbazol-9-yl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one","","- C27 H18 N2 O3 -","- C27 H18 N2 O3 -","- C108 H72 N8 O12 -","4","1","EX2028","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana","Structural, Hirshfeld and DFT studies of conjugated <i>D</i>‒π‒<i>A</i> carbazole chalcone crystal","Acta Crystallographica Section E","2020","76","3","387","391","10.1107/S2056989020002054","","","0.71073","MoKα","","0.0515","0.0405","","","0.1042","0.114","","","","","","1.035","","","","has coordinates,has Fobs","248284","2020-10-21","18:00:00",""
"2243293","3.8195","0.0005","22.826","0.004","13.6381","0.0019","90","","92.829","0.011","90","","1187.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(4-nitrobenzylidene)aniline","","- C13 H9 Cl N2 O2 -","- C13 H9 Cl N2 O2 -","- C52 H36 Cl4 N8 O8 -","4","1","","Leela, Sundararaman; Subashini, Ashokkumar; Reji, Philip; Ramamurthi, Kandasami; Stoeckli-Evans, Helen","Whole-molecule disorder of the Schiff base compound 4-chloro-<i>N</i>-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","3","417","422","10.1107/S2056989020002212","","","0.71073","MoKα","","0.0831","0.0494","","","0.1102","0.1208","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","248285","2020-10-21","18:00:00",""
"2243294","9.7577","0.0014","10.348","0.002","9.9118","0.0016","90","","101.663","0.015","90","","980.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1',1'',1'''-(Pyrazine-2,3,5,6-tetrayl)tetrakis(<i>N</i>,<i>N</i>-dimethylmethanamine)","","- C16 H32 N6 -","- C16 H32 N6 -","- C32 H64 N12 -","2","0.5","","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product","Acta Crystallographica Section E","2020","76","3","404","409","10.1107/S2056989020002133","","","0.71073","MoKα","","0.1108","0.0602","","","0.1287","0.1536","","","","","","1.098","","","","has coordinates,has Fobs","248286","2020-10-21","18:00:00",""
"2243295","8.6753","0.001","8.916","0.0011","10.0631","0.001","85.774","0.01","73.468","0.011","82.467","0.011","739.21","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[Pyrazine-2,3,5,6\ tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","","- C36 H40 N6 -","- C36 H40 N6 -","- C36 H40 N6 -","1","0.5","","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product","Acta Crystallographica Section E","2020","76","3","404","409","10.1107/S2056989020002133","","","0.71073","MoKα","","0.0811","0.0493","","","0.0939","0.108","","","","","","1.116","","","","has coordinates,has Fobs","248286","2020-10-21","18:00:00",""
"2243296","8.686","0.001","9.7731","0.0011","14.3948","0.0016","85.915","0.013","75.349","0.013","78.891","0.013","1159.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-[(6-Phenyl-6,7-dihydro-5<i>H</i>-pyrrolo[3,4-\ <i>b</i>]pyrazine-2,3-diyl)bis(methylene)]bis(<i>N</i>-methylaniline)","","- C28 H29 N5 -","- C28 H29 N5 -","- C56 H58 N10 -","2","1","","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product","Acta Crystallographica Section E","2020","76","3","404","409","10.1107/S2056989020002133","","","0.71073","MoKα","","0.1221","0.0353","","","0.0692","0.0791","","","","","","0.682","","","","has coordinates,has Fobs","248286","2020-10-21","18:00:00",""
"2243297","8.9922","0.0014","16.461","0.003","24.835","0.004","90","","92.491","0.006","90","","3672.6","1.1","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","Bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate","","- C34 H22 Br6 Cu N4 O3 S -","- C34 H22 Br6 Cu N4 O3 S -","- C136 H88 Br24 Cu4 N16 O12 S4 -","4","1","TX2018","Chetioui, Souheyla; Bougueria, Hassiba; Brihi, Ouarda; Boutebdja, Mehdi; Bouroumane, Nadia; Merazig, Hocine; Touzani, Rachid","Crystal structure, characterization and Hirshfeld analysis of bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2020","76","3","382","386","10.1107/S2056989020001863","","x-ray","0.7107","MoKα","","0.1033","0.0442","","","0.0844","0.0985","","","","","","0.924","","","","has coordinates,has disorder,has Fobs","248289","2020-10-21","18:00:00",""
"2243298","12.138","0.008","8.336","0.005","15.872","0.009","90","","93.91","0.016","90","","1602.2","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(Benzylideneamino)-5-phenylthiazolidin-2-iminium bromide","","- C16 H16 Br N3 S -","- C16 H16 Br N3 S -","- C64 H64 Br4 N12 S4 -","4","1","RZ5269","Duruskari, Gulnara Sh.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2020","76","3","427","431","10.1107/S2056989020001899","","","0.71073","MoKα","","0.0518","0.0397","","","0.101","0.1107","","","","","","1.055","","","","has coordinates,has Fobs","248398","2020-10-21","18:00:00",""
"2243299","8.5623","0.0003","10.5377","0.0003","24.4439","0.0007","90","","90.768","0.003","90","","2205.3","0.12","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Aqua-1κ<i>O</i>-bis(μ~2~-2-iminomethyl-6-methoxyphenolato-1κ^2^<i>O</i>^1^,<i>O</i>^6^:2κ^2^<i>O</i>^1^,<i>N</i>)bis(thiocyanato-1κ<i>N</i>)calcium(II)copper(II)","","- C18 H18 Ca Cu N4 O5 S2 -","- C18 H18 Ca Cu N4 O5 S2 -","- C72 H72 Ca4 Cu4 N16 O20 S8 -","4","1","IS5531","Plyuta, Nataliya; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Omelchenko, Iryna; Petrusenko, Svitlana","A binuclear Cu^II^/Ca^II^ thiocyanate complex with a Schiff base ligand derived from <i>o</i>-vanillin and ammonia","Acta Crystallographica Section E","2020","76","3","423","426","10.1107/S205698902000211X","","x-ray","0.71073","MoKα","","0.0838","0.0442","","","0.089","0.1034","","","","","","1.023","","","","has coordinates,has Fobs","248399","2020-10-21","18:00:00",""
"2243300","8.706","0.003","13.753","0.005","14.683","0.005","116.142","0.011","93.871","0.012","96.985","0.012","1552","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","2-Methoxy-6-nitro-4-(prop-2-en-1-yl)phenol","4-Allyl-2-methoxy-6-nitrophenol","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C60 H66 N6 O24 -","6","3","RZ5270","El Ghallab, Yassine; Derfoufi, Sanae; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol","Acta Crystallographica Section E","2020","76","3","461","465","10.1107/S2056989020002601","","","0.71073","MoKα","","0.0655","0.0473","","","0.1208","0.1339","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","248567","2020-10-21","18:00:00",""
"2243301","7.5347","0.0001","8.2581","0.0001","9.6157","0.0001","77.876","0.001","86.132","0.001","69.682","0.001","548.56","0.012","173","2","172.99","","","","","","","","","5","P -1","-P 1","2","<i>N</i>,<i>N</i>-(Butane-1,4-diyl)-4-methylbenzenesulfonamide","1-[(4-Methylbenzene)sulfonyl]pyrrolidine","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C22 H30 N2 O4 S2 -","2","1","WM5540","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine","Acta Crystallographica Section E","2020","76","3","452","455","10.1107/S205698902000208X","","","1.54178","CuKα","","0.0475","0.0414","","","0.1148","0.1196","","","","","","1.088","","","","has coordinates,has Fobs","248568","2020-10-21","18:00:00",""
"2243302","7.7418","0.0008","13.856","0.003","36.197","0.005","90","","90","","90","","3882.9","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[Bis(benzylsulfanyl)methyl]-6-methoxyphenol","","- C22 H22 O2 S2 -","- C22 H22 O2 S2 -","- C176 H176 O16 S16 -","8","1","VM2228","Raghuvanshi, Abhinav; Knauer, Lena; Viau, Lydie; Knorr, Michael; Strohmann, Carsten","Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol","Acta Crystallographica Section E","2020","76","4","484","487","10.1107/S2056989020002091","","x-ray","0.71073","MoKα","","0.0403","0.0338","","","0.076","0.0792","","","","","","1.088","","","","has coordinates","248728","2020-10-21","18:00:00",""
"2243303","23.473","0.0012","3.7262","0.0002","13.9102","0.0007","90","","95.687","0.002","90","","1210.67","0.11","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-Bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine dihydrate","","- C10 H12 N8 O2 -","- C10 H12 N8 O2 -","- C40 H48 N32 O8 -","4","0.5","HB7895","Khotchasanthong, Kenika; Jittirattanakun, Siripak; Chainok, Kittipong","Crystal structure and Hirshfeld surface analysis of 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine dihydrate","Acta Crystallographica Section E","2020","76","4","473","476","10.1107/S2056989020002765","","x-ray","0.71073","MoKα","","0.0688","0.0533","","","0.1579","0.1739","","","","","","1.051","","","","has coordinates,has Fobs","248729","2020-10-21","18:00:00",""
"2243304","7.3709","0.0004","7.5063","0.0004","12.4247","0.0006","84.126","0.004","76.694","0.004","62.372","0.004","592.69","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-\ one‒(<i>Z</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-\ 1-en-1-ol (0.93/0/07)","","- C12 H9.14 Cl O S2 -","- C12 H9.14 Cl O S2 -","- C24 H18.28 Cl2 O2 S4 -","2","1","HB7894","Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael","Unexpected formation of a co-crystal containing the chalcone (<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one and the keto‒enol tautomer (<i>Z</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-1-en-1-ol","Acta Crystallographica Section E","2020","76","4","477","480","10.1107/S2056989020002583","","","1.54186","CuKα","","0.0344","0.0323","","","0.0872","0.0884","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","248730","2020-10-21","18:00:00",""
"2243305","9.2139","0.0004","8.8122","0.0004","18.3486","0.0007","90","","104.521","0.004","90","","1442.22","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1<i>H</i>-pyrazol-2-yl)acetate","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","NR2077","Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1<i>H</i>-pyrazol-2-yl)acetate","Acta Crystallographica Section E","2020","76","4","481","483","10.1107/S2056989020002674","","","0.71073","MoKα","","0.0419","0.0351","","","0.0825","0.0853","","","","","","1.107","","","","has coordinates,has Fobs","248731","2020-10-21","18:00:00",""
"2243307","9.2846","0.0007","9.2846","0.0007","38.069","0.004","90","","90","","90","","3281.7","0.5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Bis(4'-chloro-2,2':6',2''-terpyridyl)cobalt(II) dichloride tetrahydrate","","- C30 H28 Cl4 Co N6 O4 -","- C30 H28 Cl4 Co N6 O4 -","- C120 H112 Cl16 Co4 N24 O16 -","4","0.25","HB7878","Thippeswamy, B.; Suchetan, P. A.; Mahadevan, K. M.; Nagabhushana, H.; Vijayakumar, G. R.","Crystal structure and photoluminescent properties of bis(4'-chloro-2,2':6',2''-terpyridyl)cobalt(II) dichloride tetrahydrate","Acta Crystallographica Section E","2020","76","4","496","499","10.1107/S205698902000287X","","","0.71073","MoKα","","0.0604","0.0438","","","0.118","0.1274","","","","","","1.075","","","","has coordinates,has Fobs","249115","2020-10-21","18:00:00",""
"2243308","6.9683","0.0007","7.9683","0.0008","18.975","0.002","90","","90","","90","","1053.6","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Methoxyphenyl)piperazine","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.0508","0.0355","","","0.0815","0.0884","","","","","","1.062","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243309","7.4365","0.0004","10.6276","0.0006","13.27","0.0006","92.238","0.004","97.057","0.004","108.618","0.005","982.92","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C18 H20 N4 O7 -","- C18 H20 N4 O7 -","- C36 H40 N8 O14 -","2","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.06","0.0406","","","0.1","0.1097","","","","","","1.024","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243310","8.7568","0.0006","6.6292","0.0005","34.024","0.002","90","","96.987","0.006","90","","1960.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C17 H19 N5 O8 -","- C17 H19 N5 O8 -","- C68 H76 N20 O32 -","4","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.097","0.0575","","","0.1196","0.136","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","249116","2020-10-21","18:00:00",""
"2243311","6.259","0.0007","7.4549","0.0009","19.269","0.002","83.28","0.01","84.74","0.001","85.38","0.01","886.94","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-aminobenzoate monohydrate","","- C18 H25 N3 O4 -","- C18 H25 N3 O4 -","- C36 H50 N6 O8 -","2","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.1315","0.0688","","","0.16","0.1868","","","","","","1.069","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243312","8.0932","0.0014","13.744","0.003","12.429","0.002","90","","92.29","0.006","90","","1381.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-9-ium aquatrichloridozincate(II)","","- C7 H11 Cl3 N4 O3 Zn -","- C7 H11 Cl3 N4 O3 Zn -","- C28 H44 Cl12 N16 O12 Zn4 -","4","1","HB7891","El Hamdani, Hicham; El Amane, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure and Hirshfeld surface analysis of (C~7~H~9~N~4~O~2~)[ZnCl~3~(H~2~O)]","Acta Crystallographica Section E","2020","76","4","506","509","10.1107/S2056989020002753","","","0.71073","MoKα","","0.0287","0.0253","","","0.0672","0.0698","","","","","","1.04","","","","has coordinates,has Fobs","249271","2020-10-21","18:00:00",""
"2243313","7.061","0.0014","8.674","0.0017","10.775","0.002","77.61","0.03","88.2","0.03","79.39","0.03","633.5","0.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","1,4,8,11-Tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chloridochromate(VI)] dichloride","","- C14 H36 Cl4 Cr2 N4 O6 -","- C14 H36 Cl4 Cr2 N4 O6 -","- C14 H36 Cl4 Cr2 N4 O6 -","1","0.5","VM2229","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chloridochromate(VI)] dichloride from synchrotron X-ray data","Acta Crystallographica Section E","2020","76","4","523","526","10.1107/S2056989020003059","","","0.61","synchrotron","","0.0512","0.0504","","","0.1486","0.1496","","","","","","1.078","","","","has coordinates,has Fobs","249272","2020-10-21","18:00:00",""
"2243314","8.1775","0.0017","6.7722","0.0014","12.305","0.003","90","","99.664","0.003","90","","671.8","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium μ-oxido-μ-[1,5,6-trihydroxyhexane-2,3,4-tris(olato)]bis[dioxidomolybdenum(V)] monohydrate","","- C6 H17 Mo2 N O12 -","- C6 H17 Mo2 N O12 -","- C12 H34 Mo4 N2 O24 -","2","1","","Mirzaei, Masoud; Tahmasebi, Morteza; Mague, Joel T.","A redetermination of the crystal structure of the mannitol complex NH~4~[Mo~2~O~5~(C~6~H~11~O~6~)]·H~2~O: hydrogen-bonding scheme and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","4","518","522","10.1107/S2056989020002935","","","0.71073","MoKα","","0.0199","0.0187","","","0.0491","0.0495","","","","","","1.054","","","","has coordinates,has Fobs","249273","2020-10-21","18:00:00",""
"2243315","19.77","0.013","9.477","0.006","17.62","0.012","90","","105.78","0.02","90","","3177","4","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)propan-2-ylazanium} but-2-enedioate","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C128 H176 N16 O24 -","8","1","ZL2774","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Bis(4-hydroxy-<i>N</i>-isopropyl-<i>N</i>-methyltryptammonium) fumarate: a new crystalline form of miprocin","Acta Crystallographica Section E","2020","76","4","514","517","10.1107/S2056989020002923","","","0.71073","MoKα","","0.0775","0.0466","","","0.0929","0.1054","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","249274","2020-10-21","18:00:00",""
"2243316","12.1175","0.0005","18.7705","0.0006","12.3246","0.0004","90","","110.232","0.004","90","","2630.29","0.18","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(6-fluoropyridine-3-carboxylato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] trihydrate]","","- C22 H24 F2 N4 Ni O9 -","- C22 H24 F2 N4 Ni O9 -","- C88 H96 F8 N16 Ni4 O36 -","4","0.5","XI2024","Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","The first coordination compound of 6-fluoronicotinate: the crystal structure of a one-dimensional nickel(II) coordination polymer containing the mixed ligands 6-fluoronicotinate and 4,4'-bipyridine","Acta Crystallographica Section E","2020","76","4","500","505","10.1107/S2056989020003023","","","0.71073","MoKα","","0.0415","0.0321","","","0.0702","0.0733","","","","","","1.025","","","","has coordinates,has Fobs","249275","2020-10-21","18:00:00",""
"2243317","4.1027","0.0004","12.1789","0.0018","8.1014","0.0008","90","","95.78","0.012","90","","402.74","0.08","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[(μ-5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>;3',4'-<i>e</i>]pyrazine-κ^2^<i>S</i>:<i>S</i>')(μ-nitrato-κ^2^<i>O</i>:<i>O</i>')silver(I)]","","- C8 H8 N2 S2 -","- C8 H8 N2 S2 -","- C16 H16 N4 S4 -","2","0.5","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.0849","0.0736","","","0.1719","0.1804","","","","","","1.026","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243318","21.1618","0.0018","7.0585","0.0005","9.5057","0.0007","90","","94.47","0.01","90","","1415.55","0.19","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[μ~3~3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>;6',7'-<i>e</i>]pyrazine-κ^3^<i>S</i>:<i>S</i>':<i>S</i>''](nitrato-κ<i>O</i>)silver(I)]","","- C12 H16 N2 S4 -","- C12 H16 N2 S4 -","- C48 H64 N8 S16 -","4","0.5","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.0318","0.0264","","","0.0689","0.0706","","","","","","1.047","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243319","3.8995","0.0003","6.3902","0.0006","20.5741","0.0018","90","","93.121","0.009","90","","511.92","0.08","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C8 H8 Ag N3 O3 S2 -","- C8 H8 Ag N3 O3 S2 -","- C16 H16 Ag2 N6 O6 S4 -","2","0.5","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.017","0.0156","","","0.0406","0.0412","","","","","","1.145","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243320","7.0777","0.0006","12.0654","0.0007","19.5725","0.0018","90","","90.446","0.01","90","","1671.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Ag N3 O3 S4 -","- C12 H16 Ag N3 O3 S4 -","- C48 H64 Ag4 N12 O12 S16 -","4","1","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.0526","0.0293","","","0.0549","0.0586","","","","","","0.848","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243321","6.6286","0.0004","8.1569","0.0005","12.0061","0.0008","96.803","0.003","101.506","0.003","98.511","0.003","621.73","0.07","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","(4-Chlorophenyl)(4-methylpiperidin-1-yl)methanone","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C26 H32 Cl2 N2 O2 -","2","1","JJ2221","Srividya, J.; Reuben Jonathan, D.; Revathi, B. K.; Divya Bharathi, M.; Anbalagan, G.","Crystal structure of (4-chlorophenyl)(4-methylpiperidin-1-yl)methanone","Acta Crystallographica Section E","2020","76","4","534","538","10.1107/S2056989020001930","","","0.71073","MoKα","","0.0655","0.0487","","","0.1284","0.1435","","","","","","1.051","","","","has coordinates,has Fobs","249388","2020-10-21","18:00:00",""
"2243322","9.7919","0.0014","14.5757","0.0013","12.114","0.0012","90","","107.694","0.006","90","","1647.2","0.3","100","2","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II)","","- C15 H20 Mo N3 O3 P -","- C15 H20 Mo N3 O3 P -","- C60 H80 Mo4 N12 O12 P4 -","4","1","","Anstey, Mitchell R.; Bost, John L.; Grumman, Anna S.; Kennedy, Nicholas D.; Whited, Matthew T.","Crystal structures of <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)","Acta Crystallographica Section E","2020","76","4","547","551","10.1107/S2056989020003679","","","0.71073","MoKα","","0.0255","0.0201","","","0.0407","0.0425","","","","","","1.067","","","","has coordinates,has Fobs","249473","2020-10-21","18:00:00",""
"2243323","12.8674","0.0004","11.6366","0.0003","14.4655","0.0005","90","","113.224","0.004","90","","1990.45","0.12","99.97","0.13","99.97","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)","","- C18 H24 Mo N3 O5 P -","- C18 H24 Mo N3 O5 P -","- C72 H96 Mo4 N12 O20 P4 -","4","1","","Anstey, Mitchell R.; Bost, John L.; Grumman, Anna S.; Kennedy, Nicholas D.; Whited, Matthew T.","Crystal structures of <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)","Acta Crystallographica Section E","2020","76","4","547","551","10.1107/S2056989020003679","","x-ray","0.71073","MoKα","","0.0355","0.0276","","","0.0586","0.0609","","","","","","1.094","","","","has coordinates,has Fobs","249473","2020-10-21","18:00:00",""
"2243324","12.06","0.0008","4.4531","0.0003","19.9528","0.0013","90","","102.228","0.002","90","","1047.24","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(Pyridin-4-ylmethylidene)thiophene-2-carbohydrazide","","- C11 H9 N3 O S -","- C11 H9 N3 O S -","- C44 H36 N12 O4 S4 -","4","1","RZ5271","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","Intramolecular 1,5-S···N σ-hole interaction in (<i>E</i>)-<i>N</i>'-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide","Acta Crystallographica Section E","2020","76","4","557","561","10.1107/S2056989020003011","","","0.71073","MoKα","","0.0646","0.0397","","","0.0917","0.1013","","","","","","1.031","","","","has coordinates,has Fobs","249474","2020-10-21","18:00:00",""
"2243325","16.094","0.0014","8.8747","0.0008","10.558","0.001","90","","105.654","0.003","90","","1452.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>R</i>,<i>S</i>)-2-Hydroxy-4-(methylsulfanyl)butanoic acid","","- C5 H10 O3 S -","- C5 H10 O3 S -","- C40 H80 O24 S8 -","8","2","LH5949","Mawhinney, Thomas P.; Li, Yiyi; Chance, Deborah L.; Kelley, Steven P.; Mossine, Valeri V.","Crystal structure of (<i>R</i>,<i>S</i>)-2-hydroxy-4-(methylsulfanyl)butanoic acid","Acta Crystallographica Section E","2020","76","4","562","566","10.1107/S2056989020003138","","","0.71073","MoKα","","0.0648","0.0444","","","0.0967","0.1058","","","","","","1.054","","","","has coordinates,has Fobs","249475","2020-10-21","18:00:00",""
"2243326","8.1049","0.0007","11.6979","0.001","12.081","0.0012","90","","90.069","0.009","90","","1145.4","0.18","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1,3-Dimethoxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate","","- C6 H11 B F4 N2 O2 S -","- C6 H11 B F4 N2 O2 S -","- C24 H44 B4 F16 N8 O8 S4 -","4","1","WM5549","Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates","Acta Crystallographica Section E","2020","76","4","552","556","10.1107/S2056989020003643","","x-ray","0.71073","MoKα","","0.0585","0.0371","","","0.0765","0.0882","","","","","","1.038","","","","has coordinates,has Fobs","249476","2020-10-21","18:00:00",""
"2243327","7.9117","0.0003","11.476","0.0004","20.9659","0.0007","90","","90","","90","","1903.59","0.12","173","2","173","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","","1,3-Dibenzyloxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate","","- C18 H19 B F4 N2 O2 S -","- C18 H19 B F4 N2 O2 S -","- C72 H76 B4 F16 N8 O8 S4 -","4","1","WM5549","Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates","Acta Crystallographica Section E","2020","76","4","552","556","10.1107/S2056989020003643","","","0.71073","MoKα","","0.0336","0.0296","","","0.0654","0.0674","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","249476","2020-10-21","18:00:00",""
"2243328","4.2951","0.0002","16.7714","0.0009","18.0537","0.0011","90","","95.941","0.002","90","","1293.51","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,4-Dihydro-2<i>H</i>-anthra[1,2-<i>b</i>][1,4]dioxepine-8,13-dione","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","HB7899","Zazouli, Sofia; Chigr, Mohammed; Jouaiti, Ahmed; Kyritsakas, Nathalie; Ketatni, El Mostafa","Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2<i>H</i>-anthra[1,2-<i>b</i>][1,4]dioxepine-8,13-dione","Acta Crystallographica Section E","2020","76","4","576","580","10.1107/S2056989020003965","","","0.71073","MoKα","","0.0895","0.055","","","0.1288","0.1493","","","","","","1.025","","","","has coordinates,has Fobs","249818","2020-10-21","18:00:00",""
"2243329","7.1676","0.0005","9.1175","0.0007","10.1554","0.0008","66.174","0.006","80.225","0.006","71.803","0.006","576.01","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2<i>H</i>,4<i>H</i>-1,2,3-oxathiazin-3-ide","","- C9 H11 N3 O5 S -","- C9 H11 N3 O5 S -","- C18 H22 N6 O10 S2 -","2","1","YK2127","Kansiz, Sevgi; Faizi, Md. Serajul Haque; Aydin, Tansu Merve; Dege, Necmi; Icbudak, Hasan; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2<i>H</i>,4<i>H</i>-1,2,3-oxathiazin-3-ide","Acta Crystallographica Section E","2020","76","4","572","575","10.1107/S2056989020003813","","","0.71073","MoKα","","0.0473","0.0398","","","0.1101","0.1143","","","","","","1.082","","","","has coordinates,has Fobs","249819","2020-10-21","18:00:00",""
"2243330","9.406","0.0016","8.8436","0.0015","12.144","0.002","90","","100.601","0.007","90","","992.9","0.3","297","2","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Hydroxy-<i>N</i>-methyltryptamine","3-[2-(Methylamino)ethyl]-1<i>H</i>-indol-4-ol","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","PK2623","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Norpsilocin: freebase and fumarate salt","Acta Crystallographica Section E","2020","76","4","589","593","10.1107/S2056989020004077","","","0.71073","MoKα","","0.0448","0.0375","","","0.0958","0.1048","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","249820","2020-10-21","18:00:00",""
"2243331","7.7363","0.001","9.7146","0.0012","9.7854","0.0013","105.524","0.004","110.554","0.004","97.167","0.004","643.69","0.15","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","4-Hydroxy-<i>N</i>-methyltryptammonium fumarate","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]methylazanium} but-2-enedioate","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C26 H32 N4 O6 -","2","1","PK2623","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Norpsilocin: freebase and fumarate salt","Acta Crystallographica Section E","2020","76","4","589","593","10.1107/S2056989020004077","","","0.71073","MoKα","","0.0619","0.0391","","","0.09","0.0983","","","","","","1.106","","","","has coordinates,has Fobs","249820","2020-10-21","18:00:00",""
"2243332","8.3252","0.0001","17.1485","0.0003","9.3505","0.0001","90","","116.249","0.001","90","","1197.26","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(Morpholin-4-yl)carbothioyl]benzoic acid","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","DX2024","Agnimonhan, Finagnon Hyacinthe; Bendeif, El-Eulmi; Akanni, Léon Ahoussi; Gbaguidi, Ahokannou Fernand; Martin, Eddy; Wenger, Emmanuel; Lecomte, Claude","Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid","Acta Crystallographica Section E","2020","76","4","581","584","10.1107/S2056989020003977","","","0.71073","MoKα","","0.052","0.0477","","","0.1278","0.1312","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","249821","2020-10-21","18:00:00",""
"2243333","10.578","0.0002","18.419","0.0005","14.398","0.0003","90","","108.791","0.001","90","","2655.73","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C32 H37 N O4 -","- C32 H37 N O4 -","- C128 H148 N4 O16 -","4","1","IS5533","Suresh Babu, N.; Sughanya, V.; Dhandapani, A.; Kalaivanan, R.","Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2020","76","4","585","588","10.1107/S2056989020004065","","","0.71073","MoKα","","0.0728","0.0491","","","0.1189","0.1385","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","249822","2020-10-21","18:00:00",""
"2243334","9.6659","0.0007","14.0682","0.0011","14.4869","0.0013","90","","90","","90","","1970","0.3","296","2","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C72 H80 Cl8 N8 O8 S8 -","8","1","ZQ2250","Mongkholkeaw, Sitthichok; Songsasen, Apisit; Duangthongyou, Tanwawan; Chainok, Kittipong; Suramitr, Songwut; Wattanathana, Worawat; Wannalerse, Boontana","Crystal structure, Hirshfeld surface analysis and computational study of 2-chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","Acta Crystallographica Section E","2020","76","4","594","598","10.1107/S2056989020002960","","","0.71073","MoKα","","0.0764","0.047","","","0.1112","0.1274","","","","","","1.022","","","","has coordinates,has Fobs","249910","2020-10-21","18:00:00",""
"2243335","13.359","0.002","20.413","0.003","9.747","0.0015","90","","98.326","0.003","90","","2630","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bufbd02","({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)gallium(III) pyridine monosolvate","","- C31 H29 Ga N4 O3 -","- C31 H29 Ga N4 O3 -","- C124 H116 Ga4 N16 O12 -","4","1","EX2030","Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.","Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate","Acta Crystallographica Section E","2020","76","5","615","620","10.1107/S2056989020004375","","","0.71073","MoKα","","0.1093","0.05","","","0.0993","0.1202","","","","","","1.002","","","","has coordinates,has Fobs","250121","2020-10-21","18:00:00",""
"2243336","10.9053","0.0006","14.1157","0.0008","16.2324","0.0009","93.915","0.001","103.12","0.001","97.6","0.001","2399.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bufbd01","({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)gallium(III) acetonitrile 0.75-solvate","","- C27.5 H26.25 Ga N3.75 O3 -","- C27.5 H26.25 Ga N3.75 O3 -","- C110 H105 Ga4 N15 O12 -","4","2","EX2030","Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.","Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate","Acta Crystallographica Section E","2020","76","5","615","620","10.1107/S2056989020004375","","","0.71073","MoKα","","0.0963","0.0484","","","0.1009","0.1193","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","250121","2020-10-21","18:00:00",""
"2243337","10.0704","0.0002","16.2514","0.0004","16.1749","0.0004","90","","99.13","0.002","90","","2613.62","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)indium(III) dichloromethane monosolvate","","- C27 H26 Cl2 In N3 O3 -","- C27 H26 Cl2 In N3 O3 -","- C108 H104 Cl8 In4 N12 O12 -","4","1","EX2030","Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.","Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate","Acta Crystallographica Section E","2020","76","5","615","620","10.1107/S2056989020004375","","x-ray","0.71073","MoKα","","0.037","0.0294","","","0.0611","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","250121","2020-10-21","18:00:00",""
"2243338","12.7245","0.0007","9.5887","0.0006","23.7276","0.0014","90","","90","","90","","2895","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2,3-Dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","LH5952","Daouda, Ballo; Tuo, Nanou Tiéba; Hökelek, Tuncer; Niameke Jean-Baptiste, Kangah; Charles Guillaume, Kodjo; Claude, Kablan Ahmont Landry; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","Acta Crystallographica Section E","2020","76","5","605","610","10.1107/S2056989020004284","","x-ray","0.71073","MoKα","","0.0631","0.0449","","","0.1105","0.1182","","","","","","1.039","","","","has coordinates,has Fobs","250122","2020-10-21","18:00:00",""
"2243339","26.6519","0.0004","8.307","0.0002","9.7852","0.0002","90","","100.241","0.002","90","","2131.9","0.08","100","0.1","100","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(η^4^-Cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide","","- C18 H28 I Ir N4 -","- C18 H28 I Ir N4 -","- C72 H112 I4 Ir4 N16 -","4","0.5","","Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.","Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","Acta Crystallographica Section E","2020","76","5","611","614","10.1107/S2056989020004235","","x-ray","0.71073","MoKα","","0.0282","0.0243","","","0.0574","0.0585","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","250123","2020-10-21","18:00:00",""
"2243340","10.6041","0.0002","12.3058","0.0002","18.2513","0.0003","90","","90","","90","","2381.65","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(η^4^-Cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","","- C22 H36 I Ir N4 -","- C22 H36 I Ir N4 -","- C88 H144 I4 Ir4 N16 -","4","0.5","","Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.","Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","Acta Crystallographica Section E","2020","76","5","611","614","10.1107/S2056989020004235","","x-ray","0.71073","MoKα","","0.0679","0.0296","","","0.0519","0.0604","","","","","","1","","","","has coordinates,has Fobs","250123","2020-10-21","18:00:00",""
"2243341","24.292","0.0018","4.8348","0.0004","24.8761","0.0016","90","","116.272","0.002","90","","2619.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetraiodoethylene‒phenanthridine (1/2)","","- C14 H9 I2 N -","- C14 H9 I2 N -","- C112 H72 I16 N8 -","8","1","VM2225","Cui, Yu-Jin; Su, Feng; Jin, Wei-Jun","Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes","Acta Crystallographica Section E","2020","76","3","438","442","10.1107/S2056989020002182","","","0.71073","MoKα","","0.0829","0.0429","","","0.0665","0.078","","","","","","1.031","","","","has coordinates,has Fobs","250390","2020-10-21","18:00:00",""
"2243342","7.3179","0.0004","8.1089","0.0005","11.3252","0.0007","97.05","0.002","92.059","0.002","95.579","0.002","663.02","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Tetraiodoethylene‒benzo[<i>f</i>]quinoline (1/2)","","- C14 H9 I2 N -","- C14 H9 I2 N -","- C28 H18 I4 N2 -","2","1","","Cui, Yu-Jin; Su, Feng; Jin, Wei-Jun","Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes","Acta Crystallographica Section E","2020","76","3","438","442","10.1107/S2056989020002182","","","0.71073","MoKα","","0.0441","0.0276","","","0.0523","0.0578","","","","","","1.082","","","","has coordinates,has Fobs","250390","2020-10-21","18:00:00",""
"2243343","8.9995","0.0005","16.7778","0.0011","12.3595","0.0008","90","","98.892","0.006","90","","1843.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","","- C18 H18 Cl N3 O2 S -","- C18 H18 Cl N3 O2 S -","- C72 H72 Cl4 N12 O8 S4 -","4","1","LH5946","Rao, H. Surya Prakash; Gunasundari, Ramalingam; Muthukumaran, Jayaraman","Crystal structure analysis of ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","Acta Crystallographica Section E","2020","76","3","443","445","10.1107/S2056989020002479","","","0.71073","MoKα","","0.0674","0.0487","","","0.1459","0.1614","","","","","","1.104","","","","has coordinates,has Fobs","250391","2020-10-21","18:00:00",""
"2243344","10.55","0.0008","9.3679","0.0006","16.5606","0.0015","90","","93.886","0.007","90","","1632.9","0.2","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(5-Benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","WM5541","Daoui, Said; Baydere, Cemile; Chelfi, Tarik; El Kalai, Fouad; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses","Acta Crystallographica Section E","2020","76","3","432","437","10.1107/S2056989020002406","","","0.71073","MoKα","","0.1367","0.0534","","","0.1294","0.1575","","","","","","0.894","","","","has coordinates,has Fobs","250392","2020-10-21","18:00:00",""
"2243345","10.5976","0.0006","15.55","0.0007","10.3731","0.0007","90","","109.12","0.005","90","","1615.11","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","WM5541","Daoui, Said; Baydere, Cemile; Chelfi, Tarik; El Kalai, Fouad; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses","Acta Crystallographica Section E","2020","76","3","432","437","10.1107/S2056989020002406","","","0.71073","MoKα","","0.095","0.0487","","","0.1175","0.1314","","","","","","0.975","","","","has coordinates,has Fobs","250392","2020-10-21","18:00:00",""
"2243346","13.033","0.005","12.877","0.01","9.028","0.003","90","","101.31","0.03","90","","1485.7","1.4","173.05","0.1","173.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-1,3-bis(3-carboxylatopropyl)tetramethyldisiloxane-κ^2^<i>O</i>:<i>O</i>']","","- C22 H48 N4 Ni O5 Si2 -","- C22 H48 N4 Ni O5 Si2 -","- C44 H96 N8 Ni2 O10 Si4 -","2","0.5","HB7892","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Dascalu, Mihaela; Lampeka, Yaroslaw D.","Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]^2+^ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation","Acta Crystallographica Section E","2020","76","3","446","451","10.1107/S2056989020002327","","","0.71073","MoKα","","0.1114","0.0653","","","0.1328","0.1433","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","250393","2020-10-21","18:00:00",""
"2243347","9.3815","0.0007","12.9009","0.0008","14.7604","0.001","99.309","0.005","100.343","0.006","99.232","0.006","1700.9","0.2","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-4-({[(3-carboxypropyl)dimethylsilyl]oxy}dimethylsilyl)butanoato-κ^2^<i>O</i>:<i>O</i>'] perchlorate]","","- C22 H49 Cl N4 Ni O9 Si2 -","- C22 H49 Cl N4 Ni O9 Si2 -","- C44 H98 Cl2 N8 Ni2 O18 Si4 -","2","1","HB7892","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Dascalu, Mihaela; Lampeka, Yaroslaw D.","Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]^2+^ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation","Acta Crystallographica Section E","2020","76","3","446","451","10.1107/S2056989020002327","","x-ray","0.71073","MoKα","","0.0852","0.0498","","","0.1096","0.1149","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","250393","2020-10-21","18:00:00",""
"2243348","16.488","0.0005","17.0003","0.0005","17.0288","0.0005","91.9252","0.0012","97.8137","0.0012","117.349","0.0011","4175.2","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","Tris[9,9-dihexyl-2-(5-methoxypyridin-2-yl-κ<i>N</i>)-9<i>H</i>-fluoren-3-yl-κ<i>C</i>^3^]iridium pentane monosolvate","","- C98 H126 Ir N3 O3 -","- C98 H126 Ir N3 O3 -","- C196 H252 Ir2 N6 O6 -","2","1","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.074","0.0417","","","0.0688","0.0759","","","","","","0.911","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243349","12.2744","0.0007","17.6132","0.001","25.3966","0.0015","105.119","0.002","93.787","0.002","90.779","0.002","5286.2","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-chlorido-bis{bis[2-(5-fluoropyridin-2-yl)-9,9-dihexyl-9<i>H</i>-fluoren-3-yl]iridium} pentane 0.3-solvate","","- C121.5 H143.6 Cl2 F4 Ir2 N4 -","- C121.5 H143.6 Cl2 F4 Ir2 N4 -","- C243 H287.2 Cl4 F8 Ir4 N8 -","2","1","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.0807","0.0409","","","0.0896","0.1029","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243350","38.976","0.006","21.615","0.003","28.759","0.004","90","","108.92","0.003","90","","22919","6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-cyanato-bis{bis[9,9-dihexyl-2-(5-methoxypyridin-2-yl)-9<i>H</i>-fluoren-1-yl]iridium} pentane monosolvate","","- C131 H164 Ir2 N6 O6 -","- C126 H152 Ir2 N6 O6 -","- C1008 H1216 Ir16 N48 O48 -","8","2","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.1809","0.0771","","","0.1468","0.1845","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243351","11.8734","0.0005","14.2267","0.0006","16.6076","0.0007","110.386","0.002","106.524","0.002","96.303","0.002","2452","0.19","120","","120","","","","","","","","","7","P -1","-P 1","2","","{μ-<i>N</i>,<i>N</i>'-Bis[3,5-bis(trifluoromethyl)phenyl]oxamidato}bis(bis{2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ^2^<i>C</i>^1^,<i>N</i>'}iridium)‒chlorobenzene‒pentane (1/2.3/0.4)","","- C113.8 H94.3 Cl2.3 F12 Ir2 N6 O2 -","- C113.8 H91.2 Cl2.3 F12 Ir2 N6 O2 -","- C113.8 H91.2 Cl2.3 F12 Ir2 N6 O2 -","1","0.5","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.0371","0.0283","","","0.0698","0.073","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243352","11.6882","0.0002","9.0903","0.0002","16.9533","0.0003","90","","105.105","0.001","90","","1739.04","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(2<i>Z</i>)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2<i>H</i>-\ 1,4-benzothiazin-4-yl]acetate","","- C19 H16 Cl N O3 S -","- C19 H16 Cl N O3 S -","- C76 H64 Cl4 N4 O12 S4 -","4","1","LH5950","Sebbar, Ghizlane; Mohamed, Ellouz; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira; Essassi, El Mokhtar; Belkadi, Bouchra","Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of ethyl 2-[(2<i>Z</i>)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetate","Acta Crystallographica Section E","2020","76","5","629","636","10.1107/S2056989020004119","","","1.54178","CuKα","","0.048","0.0394","","","0.0953","0.1014","","","","","","1.025","","","","has coordinates,has Fobs","250492","2020-10-21","18:00:00",""
"2243353","17.6928","0.0007","13.2512","0.0005","8.5916","0.0003","90","","90.184","0.002","90","","2014.3","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","WM5550","Bouzian, Younos; Kansiz, Sevgi; Mahi, Lhassane; Ahabchane, Noureddine Hamou; Mague, Joel T.; Dege, Necmi; Karrouchi, Khalid; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","Acta Crystallographica Section E","2020","76","5","642","645","10.1107/S2056989020004521","","","1.54178","CuKα","","0.0645","0.0464","","","0.095","0.1046","","","","","","1.068","","","","has coordinates,has Fobs","250662","2020-10-21","18:00:00",""
"2243354","11.4982","0.0007","5.0086","0.0003","26.724","0.0016","90","","97.683","0.002","90","","1525.22","0.16","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-<i>N</i>-cyclohexylpenta-2,4-dienamide","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","HB7897","Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo","Syntheses and crystal structures of two piperine derivatives","Acta Crystallographica Section E","2020","76","5","646","650","10.1107/S2056989020004648","","","0.71073","MoKα","","0.0578","0.0488","","","0.1158","0.1211","","","","","","1.067","","","","has coordinates,has Fobs","250663","2020-10-21","18:00:00",""
"2243355","11.8747","0.001","7.2485","0.0006","30.392","0.002","90","","90","","90","","2616","0.4","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1-(pyrrolidin-1-yl)penta-2,4-dien-1-one","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","HB7897","Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo","Syntheses and crystal structures of two piperine derivatives","Acta Crystallographica Section E","2020","76","5","646","650","10.1107/S2056989020004648","","","0.71073","MoKα","","0.109","0.0502","","","0.1088","0.1433","","","","","","1.046","","","","has coordinates,has Fobs","250663","2020-10-21","18:00:00",""
"2243356","5.4945","0.0003","25.0707","0.0013","12.9811","0.0009","90","","93.497","0.006","90","","1784.83","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Butyl-2,6-bis(4-fluorophenyl)piperidin-4-one","","- C21 H23 F2 N O -","- C21 H23 F2 N O -","- C84 H92 F8 N4 O4 -","4","1","HB7882","Anitha, K.; Sivakumar, S.; Arulraj, R.; Rajkumar, K.; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-butyl-2,6-bis(4-fluorophenyl)piperidin-4-one","Acta Crystallographica Section E","2020","76","5","651","655","10.1107/S2056989020004636","","","1.54184","CuKα","","0.0494","0.0448","","","0.1207","0.1264","","","","","","1.043","","","","has coordinates,has Fobs","250664","2020-10-21","18:00:00",""
"2243357","12.9328","0.0005","11.2551","0.0004","9.8092","0.0003","90","","106.245","0.004","90","","1370.82","0.09","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[4-(Dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","FY2143","Sylla-Gueye, Rokhaya; Thiam, Ibrahima Elhadji; Orton, James; Coles, Simon; Gaye, Mohamed","Crystal structure of <i>N</i>'-[4-(dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2020","76","5","660","663","10.1107/S205698902000465X","","x-ray","0.71075","MoKα","","0.0553","0.0475","","","0.131","0.136","","","","","","1.057","","","","has coordinates,has Fobs","250665","2020-10-21","18:00:00",""
"2243358","11.8865","0.0006","5.1298","0.0003","28.2942","0.0014","90","","93.667","0.004","90","","1721.72","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","DJ2002","Nguyen Tien, Cong; Nguyen Tan, Quang; Pham Duc, Dung; Tran Hoang, Phuong; Nguyen Dang, Dat; Truong Minh, Luong; Van Meervelt, Luc","Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate","Acta Crystallographica Section E","2020","76","5","668","672","10.1107/S2056989020005071","","x-ray","0.71073","MoKα","","0.053","0.043","","","0.1032","0.1105","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","250921","2020-10-21","18:00:00",""
"2243359","6.3291","0.0011","9.8911","0.0017","21.133","0.004","76.48","0.002","84.965","0.003","73.891","0.002","1235.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","6-Bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C24 H30 Br2 N4 O2 -","- C24 H30 Br2 N4 O2 -","- C48 H60 Br4 N8 O4 -","2","1","WM5551","Jabri, Zainab; Jarmoni, Karim; Hökelek, Tuncer; Mague, Joel T.; Sabir, Safia; Kandri Rodi, Youssef; Misbahi, Khalid","Crystal structure, Hirshfeld surface analysis and DFT studies of 6-bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2020","76","5","677","682","10.1107/S2056989020005228","","","0.71073","MoKα","","0.0481","0.0354","","","0.0904","0.0953","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","251006","2020-10-21","18:00:00",""
"2243360","7.9782","0.0004","8.1711","0.0005","12.6661","0.0007","92.214","0.002","93.423","0.001","114.274","0.001","749.55","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2<i>H</i>)-one","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C34 H32 N4 O6 S2 -","2","1","LH5956","Izuogu, David Chukwuma; Asegbeloyin, Jonnie Niyi; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2<i>H</i>)-one: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","5","697","702","10.1107/S2056989020005101","","","0.71073","MoKα","","0.0706","0.0479","","","0.1113","0.1224","","","","","","1.021","","","","has coordinates,has Fobs","251007","2020-10-21","18:00:00",""
"2243361","17.854","0.0011","11.5361","0.0006","18.5366","0.0012","90","","90","","90","","3817.9","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-[(<i>Z</i>)-2-(2<i>H</i>-1,3,2-Benzodioxaborol-2-yl)-2-phenylethenyl]-<i>N</i>-(propan-2-yl)aniline","","- C23 H22 B N O2 -","- C23 H22 B N O2 -","- C184 H176 B8 N8 O16 -","8","2","LH5953","Gubler, Joël; Chen, Peter","Structure of a push‒pull olefin prepared by ynamine hydroboration with a borandiol ester","Acta Crystallographica Section E","2020","76","5","710","714","10.1107/S2056989020005289","","x-ray","0.71073","MoKα","","0.0536","0.0386","","","0.0798","0.0862","","","","","","1.027","","","","has coordinates,has Fobs","251008","2020-10-21","18:00:00",""
"2243362","10.9545","0.0005","11.8785","0.0005","18.8415","0.0008","105.266","0.001","97.446","0.001","106.12","0.001","2217.2","0.17","87","2","87","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis[μ~3~-2-(4,4-dimethyl-2-oxazolin-2-yl)anilinido][μ~2~-2-(4,4-dimethyl-2-oxazolin-2-yl)aniline]tetrasodium(I)]","","- C44 H52 N8 Na4 O4 -","- C44 H52 N8 Na4 O4 -","- C88 H104 N16 Na8 O8 -","2","1","ZL2777","Gajecki, Leah; Twamley, Brendan; Berg, David J.","Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)","Acta Crystallographica Section E","2020","76","5","703","709","10.1107/S2056989020005034","","x-ray","0.71073","MoKα","","0.097","0.0659","","","0.1443","0.1577","","","","","","1.05","","","","has coordinates,has Fobs","251009","2020-10-21","18:00:00",""
"2243363","10.9428","0.0005","9.8253","0.0005","28.6089","0.0014","90","","94.722","0.001","90","","3065.5","0.3","86","2","86","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilinido]ytterbium(III)","","- C33 H39 N6 O3 Yb -","- C33 H39 N6 O3 Yb -","- C132 H156 N24 O12 Yb4 -","4","1","ZL2777","Gajecki, Leah; Twamley, Brendan; Berg, David J.","Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)","Acta Crystallographica Section E","2020","76","5","703","709","10.1107/S2056989020005034","","","0.71073","MoKα","","0.0435","0.032","","","0.0687","0.073","","","","","","1.07","","","","has coordinates,has Fobs","251009","2020-10-21","18:00:00",""
"2243364","9.909","0.007","10.193","0.006","12.024","0.008","90.94","0.02","106.27","0.02","92.75","0.02","1163.9","1.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","3-[5-(2-Chlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-en-1-one","","- C28 H21 Cl N2 O3 -","- C28 H21 Cl N2 O3 -","- C56 H42 Cl2 N4 O6 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.0851","0.0576","","","0.1283","0.1554","","","","","","1.097","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243365","8.9959","0.0014","9.738","0.0015","13.637","0.002","95.901","0.004","94.122","0.004","95.959","0.004","1177.8","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","3-[5-(4-Chlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-en-1-one","","- C28 H21 Cl N2 O3 -","- C28 H21 Cl N2 O3 -","- C56 H42 Cl2 N4 O6 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.064","0.0481","","","0.1096","0.1249","","","","","","1.15","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243366","8.8615","0.0006","10.4973","0.0007","13.6588","0.001","79.006","0.003","89.412","0.003","80.971","0.003","1231.54","0.15","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","3-[3-Methyl-5-(naphthalen-2-yloxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C64 H48 N4 O6 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.0893","0.0698","","","0.1675","0.1874","","","","","","1.066","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243367","9.8432","0.0006","11.7441","0.0007","12.3005","0.0007","114.12","0.002","111.139","0.002","96.537","0.002","1152.06","0.12","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","1-(4-Azidophenyl)-3-[3-methyl-5-(2-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C26 H21 N5 O2 -","- C26 H21 N5 O2 -","- C52 H42 N10 O4 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.0766","0.0497","","","0.1191","0.1475","","","","","","1.102","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243368","28.1916","0.0017","8.0537","0.0005","22.0446","0.0012","90","","109.07","0.001","90","","4730.5","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-Azidophenyl)-3-[5-(2,4-dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C25 H17 Cl2 N5 O2 -","- C25 H17 Cl2 N5 O2 -","- C200 H136 Cl16 N40 O16 -","8","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.1132","0.0861","","","0.1458","0.1552","","","","","","1.358","","","","has coordinates,has disorder,has Fobs","251010","2020-10-21","18:00:00",""
"2243369","9.846","0.0008","22.4303","0.0018","11.049","0.0009","90","","104.157","0.002","90","","2366","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Azidophenyl)-3-[3-methyl-5-(naphthalen-2-yloxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-on","","- C29 H21 N5 O2 -","- C29 H21 N5 O2 -","- C116 H84 N20 O8 -","4","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.1418","0.0632","","","0.1167","0.1539","","","","","","1.058","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243370","10.2365","0.0004","9.7989","0.0004","19.3759","0.0008","90","","103.333","0.002","90","","1891.14","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-Benzoyl-3,5-diphenylcyclohex-2-en-1-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","1","IS5536","Naghiyev, Farid N.; Akkurt, Mehmet; Askerov, Rizvan K.; Mamedov, Ibrahim G.; Rzayev, Rovnag M.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-diphenylcyclohex-2-en-1-one","Acta Crystallographica Section E","2020","76","5","720","723","10.1107/S2056989020005381","","","0.71073","MoKα","","0.1095","0.0591","","","0.13","0.1488","","","","","","1.005","","","","has coordinates,has Fobs","251011","2020-10-21","18:00:00",""
"2243371","10.6878","0.0009","8.9088","0.0007","21.9503","0.0019","90","","99.049","0.003","90","","2064","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{[(Anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate#","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","WM5548","Ahmed, Adeeba; Ahmad, Aiman; Ahmad, Musheer; Kalibabchuk, Valentina A.","Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate","Acta Crystallographica Section E","2020","76","5","728","731","10.1107/S2056989020005393","","","0.71073","MoKα","","0.0936","0.0571","","","0.1422","0.1835","","","","","","1.1201","","","","has coordinates,has Fobs","251176","2020-10-21","18:00:00",""
"2243372","25.5453","0.0007","13.4125","0.0004","11.8879","0.0004","90","","91.644","0.003","90","","4071.4","0.2","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipyridinium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoic acid","","- C22 H15 F6 N O4 -","- C44 H30 F12 N2 O8 -","- C176 H120 F48 N8 O32 -","4","1","LH5959","Sugiyama, Haruki","Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals","Acta Crystallographica Section E","2020","76","5","742","746","10.1107/S2056989020005575","","x-ray","1.54184","CuKα","","0.0375","0.0334","","","0.0842","0.0868","","","","","","1.032","","","","has coordinates,has Fobs","251177","2020-10-21","18:00:00",""
"2243373","13.2518","0.0003","12.1773","0.0003","25.8419","0.0006","90","","90","","90","","4170.14","0.17","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethane-1,2-diaminium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate monohydrate","","- C19 H20 F6 N2 O5 -","- C19 H20 F6 N2 O5 -","- C152 H160 F48 N16 O40 -","8","1","LH5959","Sugiyama, Haruki","Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals","Acta Crystallographica Section E","2020","76","5","742","746","10.1107/S2056989020005575","","x-ray","1.54184","CuKα","","0.0351","0.0315","","","0.0796","0.0819","","","","","","1.043","","","","has coordinates,has Fobs","251177","2020-10-21","18:00:00",""
"2243374","9.4693","0.0004","8.7384","0.0003","24.5049","0.0009","90","","91.792","0.001","90","","2026.7","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazol-3-ium benzoate","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","1","MW2157","Ahmed, Ruby; Doğan, Onur Erman; Ali, Farman; Ahmad, Musheer; Ahmed, Adeeba; Dege, Necmi; Golenia, Irina A.","Crystal structure and Hirshfeld surface analysis of 2-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazol-3-ium benzoate","Acta Crystallographica Section E","2020","76","5","724","727","10.1107/S2056989020005344","","","0.71073","MoKα","","0.054","0.0413","","","0.0936","0.1041","","","","","","1.098","","","","has coordinates,has Fobs","251178","2020-10-21","18:00:00",""
"2243375","15.6783","0.001","15.788","0.0014","8.7054","0.0005","90","","91.217","0.005","90","","2154.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[3-(trifluoromethyl)benzyl]iminomethyl}phenol","","- C23 H28 F3 N O -","- C23 H28 F3 N O -","- C92 H112 F12 N4 O4 -","4","1","","Kan Kaynar, Nihal; Tanak, Hasan; Macit, Mustafa; Özdemir, Namık","Crystal structure and DFT computational studies of (<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-{[3-(trifluoromethyl)benzyl]iminomethyl}phenol","Acta Crystallographica Section E","2020","76","5","732","735","10.1107/S205698902000537X","","","0.71073","MoKα","","0.114","0.0593","","","0.1279","0.1488","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","251179","2020-10-21","18:00:00",""
"2243376","9.0954","0.0007","13.4319","0.0009","14.7905","0.001","97.074","0.003","94.68","0.003","107.354","0.003","1698.1","0.2","113","2","113","","","","","","","","","7","P -1","-P 1","2","","Bis(1,2-diphenyl-2-sulfanylideneethanethiolato-κ^2^<i>S</i>,<i>S</i>')(1,3,5-triaza-7-phosphaadamantane-κ<i>P</i>)cobalt(II) dichloromethane hemisolvate","","- C35 H34 Cl Co N3 P S4 -","- C35 H34 Cl Co N3 P S4 -","- C70 H68 Cl2 Co2 N6 P2 S8 -","2","1","ZL2776","Williams, DaShawn; Brannon, Jacob P.; Chandrasekaran, Perumalreddy; Stieber, S. Chantal E.","A five-coordinate cobalt bis(dithiolene)‒phosphine complex [Co(pdt)~2~(PTA)] (pdt = phenyldithiolene; PTA = 1,3,5-triaza-7-phosphaadamantane)","Acta Crystallographica Section E","2020","76","5","736","741","10.1107/S2056989020005447","","","0.71073","MoKα","","0.0356","0.0305","","","0.0783","0.0825","","","","","","1.056","","","","has coordinates,has Fobs","251180","2020-10-21","18:00:00",""
"2243377","19.0669","0.0009","14.2943","0.0006","19.345","0.0008","90","","95.1476","0.0018","90","","5251.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Diaquatetrakis(dimethylformamide-κ<i>O</i>)manganese(II) tetrakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidate)pentacopper(II) dimethylformamide monosolvate","","- C43 H55 Cu5 Mn N9 O19 -","- C43 H55 Cu5 Mn N9 O19 -","- C172 H220 Cu20 Mn4 N36 O76 -","4","1","YK2128","Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Synthesis and crystal structure of a pentacopper(II) 12-metallacrown-4: <i>cis</i>-diaquatetrakis(dimethylformamide-κ<i>O</i>)manganese(II) tetrakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidate)pentacopper(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2020","76","5","747","751","10.1107/S2056989020005770","","","0.71073","MoKα","","0.1115","0.0648","","","0.118","0.1434","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","251356","2020-10-21","18:00:00",""
"2243378","10.5673","0.0004","8.0182","0.0003","21.2318","0.001","90","","95.282","0.004","90","","1791.35","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide","","- C19 H17 Cl N4 O2 -","- C19 H17 Cl N4 O2 -","- C76 H68 Cl4 N16 O8 -","4","1","HB7901","Pokhodylo, Nazariy; Slyvka, Yurii; Pavlyuk, Volodymyr","Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(4-chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide","Acta Crystallographica Section E","2020","76","5","756","760","10.1107/S2056989020005848","","","0.71073","MoKα","","0.1169","0.04","","","0.0493","0.0534","","","","","","1.053","","","","has coordinates,has Fobs","251357","2020-10-21","18:00:00",""
"2243379","4.9279","0.0001","10.635","0.0003","15.8788","0.0004","90","","90","","90","","832.18","0.04","100","2","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-Oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","ZL4038","Greene, John; Kopplin, Noa; Roireau, Jack; Bezpalko, Mark; Kassel, Scott; Giuliano, Michael W.; Giuliano, Robert","Synthesis and crystal structure of (2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide","Acta Crystallographica Section E","2020","76","5","761","764","10.1107/S2056989020001292","","","0.71073","MoKα","","0.0334","0.0318","","","0.079","0.0801","","","","","","1.04","","","","has coordinates,has Fobs","251358","2020-10-21","18:00:00",""
"2243380","6.5915","0.0004","12.1969","0.001","15.5669","0.001","90","","97.617","0.008","90","","1240.47","0.15","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4'-(Propane-1,3-diyl)bis(4<i>H</i>-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)","","- C7 H12 F5 N6 O V -","- C7 H12 F5 N6 O V -","- C28 H48 F20 N24 O4 V4 -","4","1","HB7908","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Kostiantyn V.","Crystal structure and Hirshfeld surface analysis of 4,4'-(propane-1,3-diyl)bis(4<i>H</i>-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)","Acta Crystallographica Section E","2020","76","6","780","784","10.1107/S205698902000585X","","","0.71073","MoKα","","0.0317","0.0279","","","0.0788","0.0799","","","","","","1.006","","","","has coordinates,has Fobs","251391","2020-10-21","18:00:00",""
"2243381","8.2807","0.0001","14.1554","0.0001","17.502","0.0002","90","","98.92","0.001","90","","2026.71","0.04","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(pyridin-2-yl)benzene-1,3,5-tricarboxamide","","- C24 H18 N6 O3 -","- C24 H18 N6 O3 -","- C96 H72 N24 O12 -","4","1","HB7909","Senior, Levi; Linden, Anthony","The missing crystal structure in the series of <i>N</i>,<i>N</i>',<i>N</i>''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamides: the 2-pyridinyl derivative","Acta Crystallographica Section E","2020","76","6","776","779","10.1107/S2056989020005599","","x-ray","1.54184","CuKα","","0.0328","0.0312","","","0.0868","0.0883","","","","","","1.048","","","","has coordinates,has Fobs","251392","2020-10-21","18:00:00",""
"2243382","7.7054","0.0005","7.724","0.0005","8.5606","0.0005","103.659","0.005","98.803","0.005","110.273","0.005","448.74","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis{chlorido[methyl(pyridin-2-ylmethylidene)amine-κ^2^<i>N</i>,<i>N</i>']copper(II)}","","- C14 H16 Cl4 Cu2 N4 -","- C14 H16 Cl4 Cu2 N4 -","- C14 H16 Cl4 Cu2 N4 -","1","0.5","PK2625","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Melnyk, Andrii K.; Skelton, Brian W.","Crystal structure and characterization of a new copper(II) chloride dimer with methyl(pyridin-2-ylmethylidene)amine","Acta Crystallographica Section E","2020","76","6","790","793","10.1107/S2056989020005903","","","0.71073","MoKα","","0.0241","0.0207","","","0.0526","0.054","","","","","","1.076","","","","has coordinates,has Fobs","251806","2020-10-21","18:00:00",""
"2243383","9.071","0.0004","12.0526","0.0007","24.612","0.0011","90","","95.999","0.004","90","","2676.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,3-Dihydro-1<i>H</i>-perimidin-2-yl)phenol","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","2","LH5957","Daouda, Ballo; Tuo, Nanou Tiéba; Kangah, Niameke Jean-Baptiste; Hökelek, Tuncer; Kodjo, Charles Guillaume; Retailleau, Pascal; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)phenol","Acta Crystallographica Section E","2020","76","6","798","802","10.1107/S2056989020005939","","x-ray","0.71073","MoKα","","0.0718","0.0462","","","0.1099","0.1203","","","","","","1.033","","","","has coordinates,has Fobs","251807","2020-10-21","18:00:00",""
"2243384","11.3214","0.0009","6.7426","0.0006","14.9478","0.0012","90","","107.234","0.009","90","","1089.82","0.17","213","2","213","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3-Diethynyladamantane","","","- C14 H16 -","- C14 H16 -","- C56 H64 -","4","1","LH5958","Domasevitch, Kostiantyn V.; Degtyarenko, Anna S.","Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane","Acta Crystallographica Section E","2020","76","6","807","810","10.1107/S2056989020005964","","","0.71073","MoKα","","0.0577","0.0441","","","0.1197","0.1243","","","","","","0.986","","","","has coordinates,has Fobs","251808","2020-10-21","18:00:00",""
"2243385","6.8817","0.001","28.249","0.004","8.1369","0.0013","90","","99.649","0.012","90","","1559.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","The crystal structure and Hirshfeld surface analysis of 1-(2,5-dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine","Acta Crystallographica Section E","2020","76","6","794","797","10.1107/S2056989020005952","","","0.71073","MoKα","","0.076","0.0366","","","0.066","0.073","","","","","","0.827","","","","has coordinates,has Fobs","251809","2020-10-21","18:00:00",""
"2243386","6.073","0.0003","15.9782","0.0009","16.386","0.0007","90","","90","","90","","1590.03","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-{2,2-Dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C16 H14 Cl2 F N3 -","- C16 H14 Cl2 F N3 -","- C64 H56 Cl8 F4 N12 -","4","1","VM2232","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Shikhaliyeva, Irada M.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","6","811","815","10.1107/S2056989020006106","","","0.71073","MoKα","","0.0473","0.034","","","0.0775","0.0844","","","","","","1.05","","","","has coordinates,has Fobs","251889","2020-10-21","18:00:00",""
"2243387","4.7274","0.0002","17.782","0.0005","10.734","0.0004","90","","98.994","0.004","90","","891.23","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat ethanol monosolvate","2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid ethanol monosolvate","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C36 H44 N4 O8 S2 -","2","1","FY2145","Gelbrich, Thomas; Kahlenberg, Volker; Adamer, Verena; Nerdinger, Sven; Griesser, Ulrich J.","Febuxostat ethanol monosolvate","Acta Crystallographica Section E","2020","76","6","816","819","10.1107/S2056989020006076","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0743","0.0768","","","","","","1.041","","","","has coordinates,has Fobs","252015","2020-10-21","18:00:00",""
"2243388","7.882","0.0005","15.2092","0.0011","13.9871","0.0009","90","","103.367","0.002","90","","1631.33","0.19","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')oxido(pyridine-κ<i>N</i>)vanadium(IV)","","- C15 H19 N O5 V -","- C15 H19 N O5 V -","- C60 H76 N4 O20 V4 -","4","0.5","ZL2781","Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen","Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands","Acta Crystallographica Section E","2020","76","6","826","830","10.1107/S2056989020006246","","","0.71073","MoKα","","0.0303","0.0267","","","0.0708","0.0725","","","","","","1.062","","","","has coordinates,has Fobs","252093","2020-10-21","18:00:00",""
"2243389","9.193","0.0009","13.508","0.0009","13.3651","0.0009","90","","99.03","0.003","90","","1639.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')oxido(pyridine-4-carbonitrile-κ<i>N</i>)vanadium(IV)","","- C16 H18 N2 O5 V -","- C16 H18 N2 O5 V -","- C64 H72 N8 O20 V4 -","4","0.5","ZL2781","Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen","Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands","Acta Crystallographica Section E","2020","76","6","826","830","10.1107/S2056989020006246","","","0.71073","MoKα","","0.0314","0.0265","","","0.0691","0.0714","","","","","","1.08","","","","has coordinates,has Fobs","252093","2020-10-21","18:00:00",""
"2243390","9.6619","0.0015","11.9922","0.0019","15.344","0.002","90","","94.651","0.002","90","","1772","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-methoxypyridine-κ<i>N</i>)oxidovanadium(IV)","","- C16 H21 N O6 V -","- C16 H21 N O6 V -","- C64 H84 N4 O24 V4 -","4","1","ZL2781","Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen","Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands","Acta Crystallographica Section E","2020","76","6","826","830","10.1107/S2056989020006246","","","0.71073","MoKα","","0.0397","0.0302","","","0.0755","0.0806","","","","","","1.047","","","","has coordinates,has Fobs","252093","2020-10-21","18:00:00",""
"2243391","7.7343","0.0003","46.8973","0.0016","13.258","0.0005","90","","99.211","0.001","90","","4746.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II) 3,4-ethylenedioxythiophene trisolvate","","- C48 H20 Cu F20 O10 S3 -","- C48 H20 Cu F20 O10 S3 -","- C192 H80 Cu4 F80 O40 S12 -","4","1","TX2020","Habuka, Yusuke; Takeuchi, Emily Ami; Hori, Akiko","Co-crystal structure, Hirshfeld surface analysis and DFT studies of 3,4-ethylenedioxythiophene solvated bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section E","2020","76","6","820","825","10.1107/S2056989020006155","","","0.71073","MoKα","","0.0537","0.049","","","0.1028","0.1059","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","252094","2020-10-21","18:00:00",""
"2243392","10.6829","0.0006","13.1701","0.0006","13.5563","0.0007","90","","108.97","0.005","90","","1803.71","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Fluorophenyl)piperazin-1-ium 2-hydroxy-3,5-dinitrobenzoate","","- C17 H17 F N4 O7 -","- C17 H17 F N4 O7 -","- C68 H68 F4 N16 O28 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0614","0.0407","","","0.0979","0.1078","","","","","","1.025","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243393","17.0606","0.0006","5.782","0.0002","12.5815","0.0005","90","","102.761","0.004","90","","1210.44","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Fluorophenyl)piperazin-1-ium hydrogen oxalate","","- C12 H15 F N2 O4 -","- C12 H15 F N2 O4 -","- C48 H60 F4 N8 O16 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0395","0.0325","","","0.0855","0.0893","","","","","","1.034","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243394","7.0961","0.0004","7.4967","0.0004","30.757","0.002","90","","90","","90","","1636.19","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(4-Fluorophenyl)piperazin-1-ium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate monohydrate","","- C14 H21 F N2 O7 -","- C14 H21 F N2 O7 -","- C56 H84 F4 N8 O28 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0699","0.045","","","0.0768","0.0846","","","","","","1.14","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243395","12.0423","0.0008","12.3722","0.0008","12.6875","0.0009","102.839","0.003","111.628","0.003","90.722","0.004","1704","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-3-chlorobenzoato)hexakis(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium(I)","","- C60 H66.01 Cl2 Mn4 N10 Na2 O22 -","- C60.0048 H66.0112 Cl2 Mn4 N10.0016 Na2 O22.0016 -","- C60.0048 H66.0112 Cl2 Mn4 N10.0016 Na2 O22.0016 -","1","0.5","MW2160","Zaleski, Curtis M.; Zeller, Matthias","Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O","Acta Crystallographica Section E","2020","76","6","848","856","10.1107/S2056989020006362","","","1.54178","CuKα","","0.0542","0.045","","","0.1233","0.1284","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","252206","2020-10-21","18:00:00",""
"2243396","14.1955","0.0009","16.3349","0.0011","16.6144","0.001","90","","94.235","0.002","90","","3842.1","0.4","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Tetra-μ-aqua-tris(μ-3-chlorobenzoato)(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentamanganese(III)sodium(I) dimethylformamide tetraolvate 0.72-hydrate","","- C64 H72.44 Cl3 Mn5 N9 Na O27.72 -","- C64 H72.436 Cl3 Mn5 N9 Na O27.718 -","- C128 H144.872 Cl6 Mn10 N18 Na2 O55.436 -","2","1","","Zaleski, Curtis M.; Zeller, Matthias","Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O","Acta Crystallographica Section E","2020","76","6","848","856","10.1107/S2056989020006362","","","0.71073","MoKα","","0.0429","0.0342","","","0.0863","0.0913","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","252206","2020-10-21","18:00:00",""
"2243397","7.7817","0.0002","9.5743","0.0003","11.1516","0.0004","113.721","0.003","90.064","0.002","112.397","0.003","691.47","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis[(pyridin-4-yl)methyl]ethanediamide‒3-chlorobenzoic acid (1/1)","","- C14 H12 Cl N2 O3 -","- C14 H12 Cl N2 O3 -","- C28 H24 Cl2 N4 O6 -","2","1","WM5558","Tan, Sang Loon; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]ethanediamide and 3-chlorobenzoic acid","Acta Crystallographica Section E","2020","76","6","870","876","10.1107/S2056989020006568","","x-ray","1.54184","CuKα","","0.0514","0.0469","","","0.1234","0.1277","","","","","","1.069","","","","has coordinates,has Fobs","252207","2020-10-21","18:00:00",""
"2243398","26.225","0.006","7.9955","0.0017","13.772","0.003","90","","111.08","0.003","90","","2694.5","1","150","2","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2'-(4-Nitrobenzoyloxy)acetophenone 0.07-hydrate","2-Acetylphenyl 4-nitrobenzoate 0.07-hydrate","","- C15 H11.15 N O5.07 -","- C15 H11.148 N O5.074 -","- C120 H89.184 N8 O40.592 -","8","1","DJ2001","Bogdanov, Georgii; Bustos, Jenna; Glebov, Viktor; Oskolkov, Evgenii; Tillotson, John P.; Timofeeva, Tatiana V.","Molecular and crystal structure, lattice energy and DFT calculations of two 2'-(nitrobenzoyloxy)acetophenone isomers","Acta Crystallographica Section E","2020","76","6","857","861","10.1107/S2056989020006295","","","0.71073","MoKα","","0.0606","0.0421","","","0.106","0.1164","","","","","","1.046","","","","has coordinates,has Fobs","252208","2020-10-21","18:00:00",""
"2243399","12.209","0.005","14.307","0.006","7.418","0.003","90","","92.815","0.007","90","","1294.2","0.9","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2'-(2-Nitrobenzoyloxy)acetophenone","2-Acetylphenyl 2-nitrobenzoate","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","","Bogdanov, Georgii; Bustos, Jenna; Glebov, Viktor; Oskolkov, Evgenii; Tillotson, John P.; Timofeeva, Tatiana V.","Molecular and crystal structure, lattice energy and DFT calculations of two 2'-(nitrobenzoyloxy)acetophenone isomers","Acta Crystallographica Section E","2020","76","6","857","861","10.1107/S2056989020006295","","","0.71073","MoKα","","0.0505","0.0402","","","0.114","0.1216","","","","","","1.058","","","","has coordinates,has Fobs","252208","2020-10-21","18:00:00",""
"2243400","12.9844","0.0002","11.9583","0.0001","19.3729","0.0002","90","","90","","90","","3008.06","0.06","100","2","100.15","","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-Cyclopropyl-1,3-diphenylfulvene","5-(Cyclopropylmethylidene)-1,3-diphenylcyclopenta-1,3-diene","","- C21 H18 -","- C21 H18 -","- C168 H144 -","8","1","YK2129","Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene","Acta Crystallographica Section E","2020","76","6","896","899","10.1107/S2056989020006441","","x-ray","0.71073","MoKα","","0.0406","0.0356","","","0.0911","0.094","","","","","","1.081","","","","has coordinates,has Fobs","252315","2020-10-21","18:00:00",""
"2243401","7.3431","0.0001","11.5468","0.0001","25.7555","0.0003","90","","90","","90","","2183.79","0.04","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-(3,4-Dimethoxynaphthalen-2-yl)-1,3-diphenylfulvene","5-[(3,4-Dimethoxynaphthalen-2-yl)methylidene]-1,3-diphenylcyclopenta-1,3-diene","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene","Acta Crystallographica Section E","2020","76","6","896","899","10.1107/S2056989020006441","","x-ray","0.71073","MoKα","","0.0374","0.0335","","","0.0794","0.0816","","","","","","1.042","","","","has coordinates,has Fobs","252315","2020-10-21","18:00:00",""
"2243402","10.7716","0.001","7.4153","0.0013","38.175","0.007","90","","92.311","0.005","90","","3046.7","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gefitinib‒azelaic acid (1/1)","Quinazolin-4-amine‒nonanedioic acid (1/1)","","- C31 H40 Cl F N4 O7 -","- C31 H40 Cl F N4 O7 -","- C124 H160 Cl4 F4 N16 O28 -","4","1","PK2627","George, Christy P.; Sangtani, Ekta; Gonnade, Rajesh G.","Crystal structure of a 1:1 co-crystal of the anticancer drug gefitinib with azelaic acid","Acta Crystallographica Section E","2020","76","6","884","888","10.1107/S2056989020006623","","","0.71073","MoKα","","0.0697","0.0452","","","0.1005","0.1103","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","252316","2020-10-21","18:00:00",""
"2243403","8.8581","0.0019","9.183","0.002","13.021","0.003","106.474","0.003","109.398","0.003","93.383","0.003","944.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4-Hexyl-2-(4-methylbenzylidene)-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C22 H25 N O S -","- C22 H25 N O S -","- C44 H50 N2 O2 S2 -","2","1","EX2032","Sebbar, Ghizlane; Hni, Brahim; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira; Belkadi, Bouchra; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of (<i>Z</i>)-4-hexyl-2-(4-methylbenzylidene)-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2020","76","6","889","895","10.1107/S205698902000657X","","","0.71073","MoKα","","0.0588","0.046","","","0.1262","0.1335","","","","","","1.077","","","","has coordinates,has Fobs","252317","2020-10-21","18:00:00",""
"2243404","16.326","0.004","8.0566","0.0019","20.565","0.005","90","","104.497","0.006","90","","2618.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-{[6,7-Dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]methylidene}-1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-9-one methanol monosolvate","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C120 H120 N16 O24 -","4","1","","Tojiboev, Akmal; Zhurakulov, Sherzod; Vinogradova, Valentina; Englert, Ulli; Wang, Ruimin","Stereochemistry of the methylidene-bridged quinazoline-isoquinoline alkaloid 3-{[6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]methylidene}-1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-9-one methanol monosolvate","Acta Crystallographica Section E","2020","76","6","914","919","10.1107/S2056989020006696","","","0.71073","MoKα","","0.1171","0.0608","","","0.1427","0.1641","","","","","","1.037","","","","has coordinates,has Fobs","252318","2020-10-21","18:00:00",""
"2243405","9.3581","0.0005","10.5306","0.0006","17.0141","0.001","90","","91.967","0.002","90","","1675.69","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diethyl 5-(2-cyanophenoxy)isophthalate","Diethyl 5-(2-cyanophenoxy)benzene-1,3-dicarboxylate","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","EX2031","Muslim, Mohd; Ali, Arif; Kamaal, Saima; Ahmad, Musheer; Afzal, Mohd; Plutenko, Maksym O.","Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyanophenoxy)isophthalate","Acta Crystallographica Section E","2020","76","6","905","908","10.1107/S2056989020004508","","","0.71073","MoKα","","0.0674","0.0442","","","0.0933","0.1097","","","","","","1.0988","","","","has coordinates,has Fobs","252319","2020-10-21","18:00:00",""
"2243406","11.5171","0.0005","4.4212","0.0002","13.9752","0.0007","90","","104.698","0.003","90","","688.32","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~3~-3,4-diaminobenzoato-κ^3^<i>N</i>^3^,<i>O</i>,<i>O</i>')manganese(II)]","","- C14 H14 Mn N4 O4 -","- C14 H14 Mn N4 O4 -","- C28 H28 Mn2 N8 O8 -","2","0.5","IS5538","Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.","Hydrothermal synthesis and crystal structure of poly[bis(μ~3~-3,4-diaminobenzoato)manganese], a layered coordination polymer","Acta Crystallographica Section E","2020","76","6","909","913","10.1107/S2056989020006805","","","0.71073","MoKα","","0.0423","0.031","","","0.0697","0.0742","","","","","","1.048","","","","has coordinates,has Fobs","252320","2020-10-21","18:00:00",""
"2243407","25.39","0.004","7.3865","0.001","18.2424","0.0016","90","","98.161","0.01","90","","3386.6","0.8","200","0.1","200","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-4,4'-(diphenylsilanediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>'] sesquihydrate]","","- C72 H90 N8 Ni2 O11 Si2 -","- C72 H90 N8 Ni2 O11 Si2 -","- C144 H180 N16 Ni4 O22 Si4 -","2","0.25","HB7914","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D.","Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)]^2+^ cation and the dianion of diphenylsilanediylbis(4-benzoic acid)","Acta Crystallographica Section E","2020","76","6","929","932","10.1107/S2056989020006544","","","0.71073","MoKα","","0.1131","0.0658","","","0.1199","0.1466","","","","","","1.027","","","","has coordinates,has Fobs","252477","2020-10-21","18:00:00",""
"2243408","11.3654","0.001","14.243","0.0012","25.168","0.002","90","","91.207","0.001","90","","4073.2","0.6","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2<i>H</i>-6,11-epoxycyclopenta[<i>a</i>]anthracene-2,2-dicarboxylate","","- C51 H42 O5 -","- C51 H42 O5 -","- C204 H168 O20 -","4","1","","Meng, Xiang-Zhen; Cheng, Dong","Crystal structure of dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2<i>H</i>-6,11-epoxycyclopenta[<i>a</i>]anthracene-2,2-dicarboxylate","Acta Crystallographica Section E","2020","76","6","954","957","10.1107/S2056989020006404","","","0.71073","MoKα","","0.0741","0.056","","","0.1535","0.1694","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","252478","2020-10-21","18:00:00",""
"2243409","7.9074","0.001","12.4794","0.0016","10.6248","0.0014","90","","102.394","0.003","90","","1024","0.2","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dimethoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C48 H40 N4 O12 -","2","0.5","YK2130","Bogdanov, Georgii; Oskolkov, Evgenii; Bustos, Jenna; Glebov, Viktor; Tillotson, John P.; Timofeeva, Tatiana V.","Molecular and crystal structure, optical properties and DFT studies of 1,4-dimethoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene","Acta Crystallographica Section E","2020","76","6","940","943","10.1107/S205698902000674X","","","0.71073","MoKα","","0.0712","0.0475","","","0.1251","0.1451","","","","","","1.035","","","","has coordinates,has Fobs","252479","2020-10-21","18:00:00",""
"2243410","9.7123","0.0008","23.4964","0.0019","7.6264","0.0006","90","","97.052","0.004","90","","1727.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Bromoanilinium nitrate","<i>p</i>-Bromoanilinium nitrate","","- C6 H7 Br N2 O3 -","- C6 H7 Br N2 O3 -","- C48 H56 Br8 N16 O24 -","8","2","MW2155","Anbarasan, Radhakrishnan; Eniya, Palaniyasan; Kalyana Sundar, Jeyaperumal; Mengesha Woldemariam, Menberu","Crystal structure and Hirshfeld surface analysis of 4-bromoanilinium nitrate","Acta Crystallographica Section E","2020","76","6","973","976","10.1107/S2056989020006945","","","0.71073","MoKα","","0.1304","0.0593","","","","0.1828","","","","","","1.022","","","","has coordinates","252480","2020-10-21","18:00:00",""
"2243411","7.0008","0.0013","5.5112","0.001","18.544","0.003","90","","100.155","0.004","90","","704.3","0.2","100","","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Octyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C14 H26 O4 -","- C14 H26 O4 -","- C28 H52 O8 -","2","1","ZQ2253","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.0493","0.0422","","","0.1062","0.1099","","","","","","1.101","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243412","6.9892","0.0002","5.4888","0.0002","20.8041","0.0006","90","","91.302","0.003","90","","797.89","0.04","99.99","0.1","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Decyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C16 H30 O4 -","- C16 H30 O4 -","- C32 H60 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","1.54184","CuKα","","0.0464","0.0422","","","0.115","0.1183","","","","","","1.072","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243413","7.025","0.0005","5.4674","0.0005","23.377","0.002","90","","97.051","0.009","90","","891.08","0.13","99.8","0.4","99.8","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Dodecyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C18 H34 O4 -","- C18 H34 O4 -","- C36 H68 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.1043","0.0824","","","0.1887","0.2015","","","","","","1.103","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243414","7.04","0.006","5.438","0.005","25.56","0.02","90","","91.914","0.009","90","","978","1.4","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Tetradecyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C20 H38 O4 -","- C20 H38 O4 -","- C40 H76 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.089","0.0554","","","0.1252","0.1401","","","","","","1.038","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243415","6.8291","0.0005","7.867","0.0011","15.814","0.003","100.607","0.011","99.011","0.01","105.054","0.007","787.5","0.2","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2-dicarboxylate","","- C13 H19 N O8 -","- C13 H19 N O8 -","- C26 H38 N2 O16 -","2","1","HB7916","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Kwong, Huey Chong; Tiekink, Edward R. T.","1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2-dicarboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2020","76","6","967","972","10.1107/S205698902000701X","","","0.71073","MoKα","","0.11","0.0419","","","0.104","0.1279","","","","","","0.986","","","","has coordinates,has Fobs","252483","2020-10-21","18:00:00",""
"2243416","19.1636","0.0011","6.0482","0.0003","17.023","0.001","90","","104.37","0.005","90","","1911.33","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(Naphthalen-2-yl)-<i>N</i>-[(<i>Z</i>)-4-propoxybenzylidene]-1,3-thiazol-2-amine","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","WM5556","Sheakh Mohamad, Ropak A.; Hamad, Wali M.; Aziz, Hashim J.","Crystal structure and Hirshfeld surface analysis of 4-(naphthalen-2-yl)-<i>N</i>-[(<i>Z</i>)-4-propoxybenzylidene]-1,3-thiazol-2-amine","Acta Crystallographica Section E","2020","76","6","920","923","10.1107/S2056989020006611","","","0.71073","MoKα","","0.1308","0.0555","","","0.0725","0.0872","","","","","","0.956","","","","has coordinates,has Fobs","252484","2020-10-21","18:00:00",""
"2243417","9.3","0.0003","7.9798","0.0002","13.2586","0.0004","90","","106.872","0.001","90","","941.6","0.05","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aquahemi[μ~2~-3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine](μ~3~-sulfato)cadmium(II)]","","- C5 H6 Cd N4 O5 S -","- C5 H6 Cd N4 O5 S -","- C20 H24 Cd4 N16 O20 S4 -","4","1","WM5546","Jiajaroen, Suwadee; Chainok, Kittipong","Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand","Acta Crystallographica Section E","2020","76","6","958","961","10.1107/S2056989020006830","","x-ray","0.71073","MoKα","","0.0144","0.0144","","","0.037","0.037","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","252485","2020-10-21","18:00:00",""
"2243418","7.1608","0.0002","8.8771","0.0002","10.0728","0.0002","96.815","0.002","96.057","0.002","95.99","0.002","627.78","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[Carbamothioyl(2-hydroxyethyl)amino]ethyl benzoate","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C24 H32 N4 O6 S2 -","2","1","HB7918","Tan, Sang Loon; Tiekink, Edward R. T.","2-[Carbamothioyl(2-hydroxyethyl)amino]ethyl benzoate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","6","933","939","10.1107/S2056989020006829","","x-ray","1.54184","CuKα","","0.0279","0.0272","","","0.0713","0.072","","","","","","1.018","","","","has coordinates,has Fobs","252486","2020-10-21","18:00:00",""
"2243419","16.212","0.003","5.9584","0.0012","19.45","0.004","90","","110.537","0.003","90","","1759.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-Allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","WM5559","Taia, Abdelmaoujoud; Essaber, Mohamed; Aatif, Abdeljalil; Chkirate, Karim; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of 4-[(4-allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2020","76","6","962","966","10.1107/S2056989020006994","","","0.71073","MoKα","","0.0507","0.0437","","","0.1278","0.1324","","","","","","1.093","","","","has coordinates,has Fobs","252487","2020-10-21","18:00:00",""
"2243420","5.1245","0.0001","12.0491","0.0002","15.7118","0.0003","90","","90","","90","","970.13","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Strontium tetracobalt tris(orthophosphate) hydroxide","","- Co4 H O13 P3 Sr -","- Co4 H O13 P3 Sr -","- Co16 H4 O52 P12 Sr4 -","4","1","WM5562","Cherif, Fatima-Zahra; Taibi, Mhamed; Boukhari, Ali; Aride, Jilali; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of SrCo~4~(OH)(PO~4~)~3~, a new hydroxyphosphate","Acta Crystallographica Section E","2020","76","7","1022","1026","10.1107/S2056989020007331","","","0.71073","MoKα","","0.0236","0.0215","","","0.0494","0.0498","","","","","","1.069","","","","has coordinates,has Fobs","252978","2020-10-21","18:00:00",""
"2243421","7.209","0.0007","8.1422","0.0008","12.3904","0.0014","71.842","0.012","74.702","0.012","72.694","0.012","647.93","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","[μ~2~-2,5,8,11,14,17-Hexathia-[9.9](2,6,3,5)-pyrazinophane]bis[bromidocopper(II)] dibromide","","- C16 H24 Br4 Cu2 N2 S6 -","- C16 H24 Br4 Cu2 N2 S6 -","- C16 H24 Br4 Cu2 N2 S6 -","1","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structures of [(μ~2~-L1)dibromidodicopper(II)] dibromide and poly[[(μ~2~-L1)diiodidodicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane","Acta Crystallographica Section E","2020","76","7","984","989","10.1107/S2056989020007161","","","0.71073","MoKα","","0.0696","0.06","","","0.1485","0.1529","","","","","","1.006","","","","has coordinates,has Fobs","252979","2020-10-21","18:00:00",""
"2243422","7.7713","0.0008","8.9456","0.0009","11.2464","0.0014","106.839","0.013","104.644","0.013","93.412","0.012","716.53","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ~2~-2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane]tetra-μ-iodido-tetracopper(I)]","","- C16 H24 Cu4 I4 N2 S6 -","- C16 H24 Cu4 I4 N2 S6 -","- C16 H24 Cu4 I4 N2 S6 -","1","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structures of [(μ~2~-L1)dibromidodicopper(II)] dibromide and poly[[(μ~2~-L1)diiodidodicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane","Acta Crystallographica Section E","2020","76","7","984","989","10.1107/S2056989020007161","","","0.71073","MoKα","","0.0923","0.0699","","","0.176","0.1834","","","","","","0.95","","","","has coordinates,has Fobs","252979","2020-10-21","18:00:00",""
"2243423","23.5593","0.0011","9.2849","0.0005","7.7927","0.0004","90","","104.009","0.001","90","","1653.92","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Fluorophenyl)-1<i>H</i>-tetrazole-5(4<i>H</i>)-thione","","- C7 H5 F N4 S -","- C7 H5 F N4 S -","- C56 H40 F8 N32 S8 -","8","1","YK2131","Askerov, Rizvan K.; Maharramov, Abel M.; Khalilov, Ali N.; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Osmanov, V. K.; Borisov, A. V.","Crystal structure and Hirshfeld surface analysis of 1-(2-fluorophenyl)-1<i>H</i>-tetrazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","7","1007","1011","10.1107/S2056989020007033","","","0.71073","MoKα","","0.0418","0.0364","","","0.0927","0.0983","","","","","","1.001","","","","has coordinates,has Fobs","252980","2020-10-21","18:00:00",""
"2243424","9.3903","0.0007","26.8178","0.0019","11.5639","0.0008","90","","101.635","0.002","90","","2852.3","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',6'-Bis(diethylamino)-2-[(2-hydroxybenzylidene)amino]spiro[isoindoline-1,9'-xanthen]-3-one","","- C35 H36 N4 O3 -","- C35 H36 N4 O3 -","- C140 H144 N16 O12 -","4","1","ZQ2251","Suramitr, Songwut; Teanwarawat, Jitpinan; Ithiapa, Nuttapong; Wattanathana, Worawat; Suramitr, Anwaraporn","Crystal structure, Hirshfeld surface analysis and computational study of a rhodamine B‒salicylaldehyde Schiff base derivative","Acta Crystallographica Section E","2020","76","7","1027","1032","10.1107/S2056989020007197","","","1.54178","CuKα","","0.0416","0.0415","","","0.0991","0.0992","","","","","","1.066","","","","has coordinates,has Fobs","252981","2020-10-21","18:00:00",""
"2243425","8.3146","0.0003","8.6714","0.0004","14.5827","0.0006","90.534","0.004","104.376","0.004","101.135","0.003","997.49","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(pyridine-κ<i>N</i>)platinum(II)","","- C20 H24 Cl N O4 Pt -","- C20 H24 Cl N O4 Pt -","- C40 H48 Cl2 N2 O8 Pt2 -","2","1","MW2159","Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc","Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives","Acta Crystallographica Section E","2020","76","7","1012","1017","10.1107/S2056989020006957","","","0.71073","MoKα","","0.0201","0.0183","","","0.0386","0.0395","","","","","","1.054","","","","has coordinates,has Fobs","252982","2020-10-21","18:00:00",""
"2243426","8.36089","0.00015","9.12717","0.00016","14.5582","0.0003","94.9089","0.0015","102.277","0.0016","100.454","0.0015","1058.58","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(4-methylpyridine-κ<i>N</i>)platinum(II)","","- C21 H26 Cl N O4 Pt -","- C21 H26 Cl N O4 Pt -","- C42 H52 Cl2 N2 O8 Pt2 -","2","1","MW2159","Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc","Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives","Acta Crystallographica Section E","2020","76","7","1012","1017","10.1107/S2056989020006957","","","0.71073","MoKα","","0.0132","0.0128","","","0.0325","0.0327","","","","","","1.123","","","","has coordinates,has Fobs","252982","2020-10-21","18:00:00",""
"2243427","7.8746","0.0002","9.7566","0.0002","15.0004","0.0004","95.782","0.002","102.874","0.002","93.843","0.002","1113.02","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(pyridine-4-carboxylic acid-κN)platinum(II)","","- C21 H24 Cl N O6 Pt -","- C21 H24 Cl N O6 Pt -","- C42 H48 Cl2 N2 O12 Pt2 -","2","1","MW2159","Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc","Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives","Acta Crystallographica Section E","2020","76","7","1012","1017","10.1107/S2056989020006957","","x-ray","0.71073","MoKα","","0.0292","0.0268","","","0.0659","0.0683","","","","","","1.051","","","","has coordinates,has Fobs","252982","2020-10-21","18:00:00",""
"2243428","12.87828","0.00018","6.88418","0.0001","16.208","0.0002","90","","108.151","0.0008","90","","1365.44","0.03","173","2","172.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>N</i>,<i>N</i>-Diisopropyl-4-methylbenzenesulfonamide","","- C13 H21 N O2 S -","- C13 H21 N O2 S -","- C52 H84 N4 O8 S4 -","4","2","PK2628","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of <i>N</i>,<i>N</i>-diisopropyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","7","1018","1021","10.1107/S2056989020007185","","","1.54178","CuKα","","0.0436","0.0422","","","0.1079","0.1094","","","","","","1.072","","","","has coordinates,has Fobs","252984","2020-10-21","18:00:00",""
"2243429","21.1326","0.001","8.547","0.0004","29.9188","0.0014","90","","90","","90","","5403.9","0.4","88","2","88","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Aqua(<i>tert</i>-butylcyanamidato)(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium(I)‒(<i>tert</i>-butylcyanamidato)(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium(I)‒<i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide (1/1/1)","","- C43 H88 K2 N6 O14 -","- C43 H88 K2 N6 O14 -","- C172 H352 K8 N24 O56 -","4","1","MW2161","Chung, Amanda B.; Ziller, Joseph W.; Evans, William J.","Reductive cleavage of <i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide generates <i>tert</i>-butylcyanamide ligands, (Me~3~CNCN)^{-^}, that bind potassium both end-on and side-on in the same single crystal","Acta Crystallographica Section E","2020","76","7","1047","1050","10.1107/S205698902000732X","","","0.71073","MoKα","","0.0455","0.0326","","","0.0606","0.0649","","","","","","1.017","","","","has coordinates,has Fobs","253057","2020-10-21","18:00:00",""
"2243430","9.7515","0.0005","9.8203","0.0005","26.6696","0.0016","92.338","0.002","91.212","0.002","94.048","0.002","2544.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-{2,2-Dichloro-1-[(<i>E</i>)-(4-chlorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C16 H14 Cl3 N3 -","- C16 H14 Cl3 N3 -","- C96 H84 Cl18 N18 -","6","3","WM5554","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mukhtarova, Sevinc H.; Suleymanova, Gulnar T.; Toze, Flavien A. A.","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-chlorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","7","1033","1037","10.1107/S2056989020007549","","","0.71073","MoKα","","0.069","0.0412","","","0.0996","0.1154","","","","","","1.011","","","","has coordinates,has Fobs","253058","2020-10-21","18:00:00",""
"2243431","8.6313","0.0006","10.8378","0.0009","13.384","0.001","66.645","0.008","79.287","0.008","85.151","0.008","1129.3","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{[4-(3-phenyl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamide ethanol monosolvate","","- C21 H21 N7 O4 S -","- C21 H21 N7 O4 S -","- C42 H42 N14 O8 S2 -","2","1","WM5563","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kadambar, Anish Kumar; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Two <i>N</i>-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamides as disordered ethanol monosolvates","Acta Crystallographica Section E","2020","76","7","1057","1061","10.1107/S2056989020007483","","","0.71073","MoKα","","0.0668","0.0402","","","0.1052","0.1156","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","253059","2020-10-21","18:00:00",""
"2243432","8.5631","0.0005","11.1242","0.0008","13.5632","0.0009","70.244","0.006","76.086","0.007","84.058","0.006","1179.92","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-({4-[3-(4-Methylphenyl)-4-sydnonylideneamino]-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl}methyl)benzamide ethanol monosolvate","","- C22 H23 N7 O4 S -","- C22 H23 N7 O4 S -","- C44 H46 N14 O8 S2 -","2","1","WM5563","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kadambar, Anish Kumar; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Two <i>N</i>-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamides as disordered ethanol monosolvates","Acta Crystallographica Section E","2020","76","7","1057","1061","10.1107/S2056989020007483","","","0.71073","MoKα","","0.1177","0.0617","","","0.0997","0.1171","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","253059","2020-10-21","18:00:00",""
"2243433","7.1195","0.0004","12.3172","0.0006","19.859","0.0012","90","","91.16","0.005","90","","1741.12","0.17","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-succinato-κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]","","- C10 H28 Cu N2 O8 -","- C10 H28 Cu N2 O8 -","- C40 H112 Cu4 N8 O32 -","4","1","PK2626","Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Rosair, Georgina M.; Iskenderov, Turganbay S.","Crystal structure and Hirshfeld surface analysis of one-dimensional copper(II) coordination polymer incorporating succinate and tetramethylethylenediamine ligands","Acta Crystallographica Section E","2020","76","7","1038","1041","10.1107/S2056989020007227","","","0.71073","MoKα","","0.0439","0.0338","","","0.0874","0.0914","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","253060","2020-10-21","18:00:00",""
"2243434","11.4312","0.0014","9.3013","0.001","18.737","0.003","90","","104.695","0.004","90","","1927","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-[(1-benzyl-4-phenyl-1<i>H</i>-1,2,3-triazol-5-yl)formamido]propanoate","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C80 H80 N16 O12 -","4","1","HB7921","Caracelli, Ignez; Zukerman-Schpector, Julio; Kwong, Huey Chong; Tiekink, Edward R. T.","Methyl 3-[(1-benzyl-4-phenyl-1<i>H</i>-1,2,3-triazol-5-yl)formamido]propanoate: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2020","76","7","1051","1056","10.1107/S2056989020007380","","","0.71073","MoKα","","0.0975","0.0771","","","0.1918","0.2035","","","","","","1.084","","","","has coordinates,has Fobs","253061","2020-10-21","18:00:00",""
"2243435","13.0747","","10.9656","","7.5822","","90","","90","","90","","1087.07","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243436","13.1334","","10.6781","","7.6125","","90","","90","","90","","1067.57","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243437","12.9747","","10.5449","","7.48","","90","","90","","90","","1023.39","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243438","15.9353","0.0009","10.3526","0.0006","14.8486","0.0009","90","","115.135","0.0006","90","","2217.7","0.2","173","2","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Methyl-<i>N</i>-propylbenzenesulfonamide","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C80 H120 N8 O16 S8 -","8","2","WM5567","Stenfors, Brock A.; Collins, Rachel C.; Duran, Jonah R. J.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 4-methyl-<i>N</i>-propylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","7","1070","1074","10.1107/S2056989020007756","","","0.71073","MoKα","","0.0318","0.0308","","","0.0816","0.0828","","","","","","1.024","","","","has coordinates,has Fobs","253147","2020-10-21","18:00:00",""
"2243439","23.6396","0.0005","8.2906","0.0002","24.7683","0.0005","90","","110.013","0.001","90","","4561.13","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Nitrobenzyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","","- C23 H24 N2 O9 -","- C23 H24 N2 O9 -","- C184 H192 N16 O72 -","8","1","HB7923","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Kwong, Huey Chong; Tiekink, Edward R. T.","4-Nitrobenzyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2020","76","7","1080","1086","10.1107/S2056989020007914","","","0.71073","MoKα","","0.0465","0.0409","","","0.1074","0.1123","","","","","","1.012","","","","has coordinates,has Fobs","253201","2020-10-21","18:00:00",""
"2243440","22.927","0.004","5.9315","0.0006","17.191","0.002","90","","97.734","0.012","90","","2316.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[(<i>E</i>)-4-(Heptyloxy)benzylidene]amino}-<i>N</i>-(naphthalen-2-yl)-1,3-thiazol-2-amine","","- C27 H28 N2 O S -","- C27 H28 N2 O S -","- C108 H112 N8 O4 S4 -","4","1","PK2631","Sheakh Mohamad, Ropak A.; Aziz, Hashim J.; Hamad, Wali M.","Crystal structure and Hirshfeld surface analysis of 4-{[(<i>E</i>)-4-(heptyloxy)benzylidene]amino}-<i>N</i>-(naphthalen-2-yl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2020","76","7","1092","1095","10.1107/S2056989020007951","","","0.71073","MoKα","","0.1222","0.0665","","","0.1321","0.155","","","","","","0.924","","","","has coordinates,has Fobs","253202","2020-10-21","18:00:00",""
"2243441","13.8433","0.001","7.0774","0.0006","6.2142","0.0005","90","","95.517","0.006","90","","606.01","0.08","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-4-Methyl-2-{[(4-methylphenyl)imino]methyl}phenol","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","TX2025","Yagci, Nermin Kahveci; Faizi, Md. Serajul Haque; Aydin, Alev Sema; Dege, Necmi; Dogan, Onur Erman; Agar, Erbil; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(4-methylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2020","76","7","1075","1079","10.1107/S2056989020007847","","","0.71073","MoKα","","0.1139","0.0684","","","0.1781","0.1985","","","","","","1.052","","","","has coordinates,has Fobs","253203","2020-10-21","18:00:00",""
"2243442","8.5628","0.0012","9.6623","0.0013","9.9767","0.0012","112.534","0.014","94.744","0.015","97.999","0.016","746.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-[2-(Methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid","","- C14 H18 O8 -","- C14 H18 O8 -","- C28 H36 O16 -","2","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid","Acta Crystallographica Section E","2020","76","7","1101","1106","10.1107/S2056989020007987","","","0.71073","MoKα","","0.0789","0.0446","","","0.0989","0.1083","","","","","","0.832","","","","has coordinates,has Fobs","253289","2020-10-21","18:00:00",""
"2243443","10.26799","0.00006","18.26557","0.0001","21.67365","0.00012","90","","90","","90","","4064.91","0.04","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3,5-dinitrobenzoato)(ethane-1,2-diamine)zinc(II)","","- C16 H14 N6 O12 Zn -","- C16 H14 N6 O12 Zn -","- C128 H112 N48 O96 Zn8 -","8","1","YK2132","Ibragimov, Avazbek; Ashurov, Jamshid; Dusmatov, Aziz; Ibragimov, Aziz","Crystal structure and Hirshfeld surface analysis of the orthorhombic polymorph of a Zn^II^ complex with 3,5-dinitrobenzoic acid and ethylenediamine","Acta Crystallographica Section E","2020","76","7","1113","1116","10.1107/S2056989020007938","","x-ray","1.54184","CuKα","","0.0324","0.0316","","","0.0906","0.0912","","","","","","1.093","","","","has coordinates,has Fobs","253290","2020-10-21","18:00:00",""
"2243444","7.4958","0.0011","12.422","0.002","20.325","0.004","90","","90","","90","","1892.5","0.6","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-[(Benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate","","- C21 H18 O7 -","- C21 H18 O7 -","- C84 H72 O28 -","4","1","VM2234","Leepasert, Theerachart; Saparpakorn, Patchreenart; Chainok, Kittipong; Duangthongyou, Tanwawan","Crystal structure of 5-[(benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate","Acta Crystallographica Section E","2020","76","7","1096","1100","10.1107/S2056989020007793","","","0.71073","MoKα","","0.0383","0.0319","","","0.0763","0.0823","","","","","","1.1025","","","","has coordinates,has Fobs","253291","2020-10-21","18:00:00",""
"2243445","9.5967","0.0015","9.6767","0.0015","10.8043","0.0017","114.162","0.005","109.93","0.005","90.917","0.006","846.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-{2,2-Dichloro-1-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C17 H17 Cl2 N3 -","- C17 H17 Cl2 N3 -","- C34 H34 Cl4 N6 -","2","1","","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Mammadova, Gunay Z.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","7","1122","1125","10.1107/S2056989020007744","","","0.71073","MoKα","","0.0489","0.0407","","","0.1003","0.1086","","","","","","1.051","","","","has coordinates,has Fobs","253292","2020-10-21","18:00:00",""
"2243446","12.7875","0.0009","11.3732","0.0012","14.3637","0.0012","90","","90","","90","","2089","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,8-Dimethoxy-3-methyl-1<i>H</i>-isochromem-1-one","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","Acta Crystallographica Section E","2020","76","7","1107","1112","10.1107/S2056989020007975","","","0.71073","MoKα","","0.0835","0.0521","","","0.1055","0.1157","","","","","","1.054","","","","has coordinates,has Fobs","253293","2020-10-21","18:00:00",""
"2243447","11.7655","0.0009","20.464","0.0017","6.7332","0.0005","90","","90.161","0.009","90","","1621.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","","- C13 H12 Br Cl3 O4 -","- C13 H12 Br Cl3 O4 -","- C52 H48 Br4 Cl12 O16 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","Acta Crystallographica Section E","2020","76","7","1107","1112","10.1107/S2056989020007975","","","0.71073","MoKα","","0.0698","0.0398","","","0.0936","0.1003","","","","","","0.879","","","","has coordinates,has disorder,has Fobs","253293","2020-10-21","18:00:00",""
"2243448","6.4976","0.0005","9.5593","0.0012","13.1962","0.0011","80.576","0.005","82.312","0.003","86.288","0.005","800.55","0.14","298.65","","298.65","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H8 N2 S5 -","- C15 H8 N2 S5 -","- C30 H16 N4 S10 -","2","1","HB7924","Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel","Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate","Acta Crystallographica Section E","2020","76","7","1126","1130","10.1107/S2056989020008105","","","0.71073","MoKα","","0.0412","0.0358","","","0.095","0.0994","","","","","","1.034","","","","has coordinates,has Fobs","253395","2020-10-21","18:00:00",""
"2243449","3.9458","0.0015","11.434","0.003","33.366","0.011","90","","90","","90","","1505.3","0.9","298.65","","298.65","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(1,3-benzothiazol-2-yl) trithiocarbonate","","- C15 H8 N2 S5 -","- C15 H8 N2 S5 -","- C60 H32 N8 S20 -","4","0.5","HB7924","Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel","Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate","Acta Crystallographica Section E","2020","76","7","1126","1130","10.1107/S2056989020008105","","","0.71073","MoKα","","0.0661","0.0505","","","0.1033","0.1097","","","","","","1.099","","","","has coordinates,has Fobs","253395","2020-10-21","18:00:00",""
"2243450","12.8022","0.0004","24.4556","0.0009","4.1459","0.0001","90","","90","","90","","1298.02","0.07","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{[(4-Iodophenyl)imino]methyl}-4-nitrophenol","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","PK2635","Faizi, Md. Serajul Haque; Alagöz, Tenzile; Ahmed, Ruby; Cinar, Emine Berrin; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure and Hirshfeld surface analysis of 2-{[(4-iodophenyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2020","76","7","1146","1149","10.1107/S2056989020008191","","","0.71073","MoKα","","0.0414","0.0373","","","0.0911","0.0938","","","","","","1.045","","","","has coordinates,has Fobs","253510","2020-10-21","18:00:00",""
"2243451","5.05866","0.00004","12.2617","0.0001","15.1009","0.0001","106.149","0.001","96.446","0.001","100.884","0.001","869.944","0.013","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(Disulfanediyl)dibenzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C17 H17 N O5 S2 -","- C17 H17 N O5 S2 -","- C34 H34 N2 O10 S4 -","2","1","HB7925","Tan, Sang Loon; Tiekink, Edward R. T.","2,2'-(Disulfanediyl)dibenzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","7","1150","1157","10.1107/S2056989020008257","","","1.54184","CuKα","","0.0264","0.0256","","","0.0714","0.072","","","","","","1.068","","","","has coordinates,has Fobs","253511","2020-10-21","18:00:00",""
"2243452","7.84","0.0016","6.34","0.0013","9.768","0.002","90","","107.32","0.03","90","","463.51","0.18","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","Posnjakite","Poly[[hexa-μ-hydroxido-tetracopper(II)] sulfate monohydrate]","","- Cu4 H8 O11 S -","- Cu4 H8 O11 S -","- Cu8 H16 O22 S2 -","2","1","TX2024","Mills, Stuart; Aishima, Jun; Aragao, David; Caradoc-Davies, Tom Tudor; Cowieson, Nathan; Gee, Christine L.; Ericsson, Daniel; Harrop, Stephen; Panjikar, Santosh; Smith, Kate Mary Louise; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Price, Jason Roy","Crystal structure of posnjakite formed in the first crystal water-cooling line of the ANSTO Melbourne Australian Synchrotron MX1 Double Crystal Monochromator","Acta Crystallographica Section E","2020","76","7","1136","1138","10.1107/S2056989020008099","","","0.71074","synchrotron","","0.0306","0.0288","","","0.0714","0.0738","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","253512","2020-10-21","18:00:00",""
"2243453","10.5916","0.0006","9.2081","0.0005","20.993","0.0012","90","","103.304","0.001","90","","1992.47","0.19","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","α-ethoxy-α-trifluoromethylphenylacetic acid'","3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C80 H72 F24 O24 -","8","2","PK2638","Savich, Carolyn Z.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of racemic Mosher's Acid","Acta Crystallographica Section E","2020","76","7","1143","1145","10.1107/S2056989020008403","","","0.71073","MoKα","","0.056","0.0398","","","0.1043","0.1152","","","","","","1.023","","","","has coordinates,has Fobs","253513","2020-10-21","18:00:00",""
"2243454","11.663","0.0003","11.6691","0.0003","15.8892","0.0004","90","","103.077","0.0007","90","","2106.38","0.09","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Bromidotricarbonyl(4'-phenyl-2,2':6',2''-terpyridine-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C24 H15 Br Mn N3 O3 -","- C24 H15 Br Mn N3 O3 -","- C96 H60 Br4 Mn4 N12 O12 -","4","1","WM5569","Wadayama, Kosei; Takase, Tsugiko; Oyama, Dai","Selective synthesis and crystal structures of manganese(I) complexes with a bi- or tridentate terpyridine ligand","Acta Crystallographica Section E","2020","76","7","1139","1142","10.1107/S2056989020008178","","","0.71075","MoKα","","0.0409","0.0351","","","0.0885","0.0915","","","","","","1.061","","","","has coordinates,has Fobs","253514","2020-10-21","18:00:00",""
"2243455","10.497","0.003","14.123","0.005","13.504","0.004","90","","96.767","0.003","90","","1988","1.1","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bromidodicarbonyl(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i><i>,N</i>',<i>N</i>'')manganese(I)","","- C23 H15 Br Mn N3 O2 -","- C23 H15 Br Mn N3 O2 -","- C92 H60 Br4 Mn4 N12 O8 -","4","1","WM5569","Wadayama, Kosei; Takase, Tsugiko; Oyama, Dai","Selective synthesis and crystal structures of manganese(I) complexes with a bi- or tridentate terpyridine ligand","Acta Crystallographica Section E","2020","76","7","1139","1142","10.1107/S2056989020008178","","","0.71075","MoKα","","0.0519","0.0458","","","0.0939","0.096","","","","","","1.27","","","","has coordinates,has disorder,has Fobs","253514","2020-10-21","18:00:00",""
"2243456","17.1332","0.0013","7.4478","0.0005","11.0345","0.0008","90","","105.758","0.004","90","","1355.14","0.17","110","0.5","110","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Ferrocenylcarbonyl)benzoic acid","","- C18 H14 Fe O3 -","- C18 H14 Fe O3 -","- C72 H56 Fe4 O12 -","4","1","ZL2783","Pokharel, Uttam R.; Bergeron, Jonathan T.; Fronczek, Frank R.","Synthesis and crystal structures of 2-(ferrocenylcarbonyl)benzoic acid and 3-ferrocenylphthalide","Acta Crystallographica Section E","2020","76","7","1163","1167","10.1107/S2056989020008452","","","0.71073","MoKα","","0.0469","0.0326","","","0.0764","0.0822","","","","","","1.041","","","","has coordinates,has Fobs","253604","2020-10-21","18:00:00",""
"2243457","35.4613","0.0011","5.6873","0.0002","13.1523","0.0004","90","","100.202","0.0016","90","","2610.61","0.15","110","0.5","110","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-Ferrocenylphthalide","3-Ferrocenyl-2-benzofuran-1(3<i>H</i>)-one","","- C18 H14 Fe O2 -","- C18 H14 Fe O2 -","- C144 H112 Fe8 O16 -","8","1","","Pokharel, Uttam R.; Bergeron, Jonathan T.; Fronczek, Frank R.","Synthesis and crystal structures of 2-(ferrocenylcarbonyl)benzoic acid and 3-ferrocenylphthalide","Acta Crystallographica Section E","2020","76","7","1163","1167","10.1107/S2056989020008452","","","0.71073","MoKα","","0.0541","0.0467","","","0.1131","0.116","","","","","","1.178","","","","has coordinates,has Fobs","253604","2020-10-21","18:00:00",""
"2243458","9.286","0.001","11.4809","0.0008","12.6469","0.001","90","","90","","90","","1348.3","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one","","- C6 H8 O2 S -","- C6 H8 O2 S -","- C48 H64 O16 S8 -","8","1","LH5954","Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.","Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","Acta Crystallographica Section E","2020","76","7","1158","1162","10.1107/S2056989020008269","","","1.54184","CuKα","","0.0621","0.0531","","","0.1371","0.1482","","","","","","1.071","","","","has coordinates,has Fobs","253605","2020-10-21","18:00:00",""
"2243459","4.1054","0.0003","22.9727","0.0013","6.1928","0.0005","90","","103.728","0.007","90","","567.37","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","","- C5 H6 O2 S -","- C5 H6 O2 S -","- C20 H24 O8 S4 -","4","1","LH5954","Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.","Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","Acta Crystallographica Section E","2020","76","7","1158","1162","10.1107/S2056989020008269","","","0.71073","MoKα","","0.056","0.05","","","0.109","0.1132","","","","","","1.192","","","","has coordinates,has Fobs","253605","2020-10-21","18:00:00",""
"2243460","8.4867","0.0006","29.764","0.002","10.6334","0.0008","90","","94.381","0.001","90","","2678.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methyl-4-(2-methyl-10<i>H</i>-benzo[<i>b</i>]thieno[2,3-<i>e</i>][1,4]diazepin-4-yl)piperazin-1-ium 2,5-dihydroxybenzoate propan-2-ol monosolvate","","- C27 H34 N4 O5 S -","- C27 H34 N4 O5 S -","- C108 H136 N16 O20 S4 -","4","1","MW2162","Natchimuthu, V.; Sharmila, N.; Ravi, S.","Crystal structure and Hirshfeld surface analysis of 1-methyl-4-(2-methyl-10<i>H</i>-benzo[<i>b</i>]thieno[2,3-<i>e</i>][1,4]diazepin-4-yl)piperazin-1-ium 2,5-dihydroxybenzoate propan-2-ol monosolvate","Acta Crystallographica Section E","2020","76","7","1168","1172","10.1107/S205698902000818X","","","0.71073","MoKα","","0.0769","0.0692","","","0.1398","0.1431","","","","","","1.313","","","","has coordinates,has Fobs","253606","2020-10-21","18:00:00",""
"2243461","18.6879","0.0016","9.4736","0.0008","24.283","0.002","90","","90","","90","","4299.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C25 H24 F N O5 -","- C25 H24 F N O5 -","- C200 H192 F8 N8 O40 -","8","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.1145","0.0535","","","0.1028","0.1229","","","","","","1.007","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243462","19.794","0.002","9.1396","0.0009","23.161","0.002","90","","101.071","0.0018","90","","4112.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Furan-2-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C184 H184 N8 O48 -","8","2","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.0852","0.0562","","","0.103","0.1119","","","","","","1.079","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243463","10.4633","0.0006","11.318","0.0006","11.6008","0.0006","104.628","0.003","99.056","0.004","112.929","0.003","1172.73","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)-3-(naphthalen-1-yl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C58 H54 N2 O10 -","2","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","1.54178","CuKα","","0.0724","0.0598","","","0.176","0.188","","","","","","1.094","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243464","8.858","0.002","22.769","0.005","12.822","0.002","90","","109.839","0.006","90","","2432.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C27 H29 N O7 -","- C27 H29 N O7 -","- C108 H116 N4 O28 -","4","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.0731","0.0445","","","0.0931","0.1059","","","","","","1.03","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243465","11.572","0.0003","12.3994","0.0003","19.9358","0.0006","83.779","0.001","85.748","0.001","71.559","0.001","2695.23","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4-Bis(4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C32 H31 N O6 -","- C32 H31 N O6 -","- C128 H124 N4 O24 -","4","2","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","1.54178","CuKα","","0.0521","0.0454","","","0.1303","0.1371","","","","","","1.091","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243466","7.4839","0.0008","14.1752","0.0014","9.6461","0.001","90","","110.537","0.003","90","","958.28","0.17","297","2","297.15","","","","","","","","","4","P 1 21 1","P 2yb","4","<i>N</i>-Ethyl-<i>N</i>-propyltryptammonium hydrofumarate","[2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)propylazanium 3-carboxyprop-2-enoate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","DX2028","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts","Acta Crystallographica Section E","2020","76","8","1201","1205","10.1107/S2056989020008683","","","0.71073","MoKα","","0.0365","0.0339","","","0.0899","0.0929","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","253757","2020-10-21","18:00:00",""
"2243467","7.9845","0.0007","8.5641","0.0006","25.649","0.002","90","","90","","90","","1753.9","0.2","297","2","297.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-Allyl-<i>N</i>-methyltryptammonium (MALT) hydrofumarate","[2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)(prop-2-en-1-yl)azanium 3-carboxyprop-2-enoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts","Acta Crystallographica Section E","2020","76","8","1201","1205","10.1107/S2056989020008683","","","0.71073","MoKα","","0.058","0.053","","","0.1427","0.1466","","","","","","1.104","","","","has coordinates,has Fobs","253757","2020-10-21","18:00:00",""
"2243468","6.5873","0.0005","7.6616","0.0006","17.3399","0.0009","97.842","0.006","90.378","0.006","95.54","0.006","862.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluorophenyl)piperazin-1-ium 2-fluorobenzoate monohydrate","","- C17 H20 F2 N2 O3 -","- C17 H20 F2 N2 O3 -","- C34 H40 F4 N4 O6 -","2","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.074","0.0446","","","0.1094","0.123","","","","","","1.013","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243469","7.2584","0.0008","9.347","0.001","13.767","0.002","101.14","0.01","95.98","0.01","109.44","0.01","849.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(4-Fluorophenyl)piperazin-1-ium 2-bromobenzoate 0.353-hydrate","","- C17 H18.71 Br F N2 O2.35 -","- C17 H18.706 Br F N2 O2.353 -","- C34 H37.412 Br2 F2 N4 O4.706 -","2","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.0564","0.0427","","","0.1182","0.1242","","","","","","1.102","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243470","9.8892","0.0003","11.6831","0.0007","16.4547","0.0009","106.776","0.005","93.327","0.004","104.874","0.004","1741.19","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(4-Fluorophenyl)piperazin-1-ium 2-iodobenzoate","","- C17 H18 F I N2 O2 -","- C17 H18 F I N2 O2 -","- C68 H72 F4 I4 N8 O8 -","4","2","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.0589","0.0466","","","0.1195","0.1269","","","","","","1.055","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243471","16.658","0.002","6.6734","0.0006","17.553","0.003","90","","117.84","0.02","90","","1725.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Fluorophenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C16 H16 F N5 O7 -","- C16 H16 F N5 O7 -","- C64 H64 F4 N20 O28 -","4","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.0609","0.045","","","0.1246","0.1357","","","","","","1.054","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243472","19.871","0.001","7.342","0.0007","26.306","0.002","90","","94.54","0.008","90","","3825.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Fluorophenyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C17 H17 F N4 O6 -","- C17 H17 F N4 O6 -","- C136 H136 F8 N32 O48 -","8","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.1016","0.0561","","","0.1208","0.1435","","","","","","1.068","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243473","7.8139","0.0003","27.047","0.001","11.7683","0.0005","90","","90","","90","","2487.14","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxy-5-methylbenzylidene)amino]benzonitrile","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","ZL2787","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[(2-hydroxy-5-methylbenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2020","76","8","1195","1200","10.1107/S2056989020008907","","","0.71073","MoKα","","0.064","0.0377","","","0.0933","0.103","","","","","","1.036","","","","has coordinates,has Fobs","253760","2020-10-21","18:00:00",""
"2243474","23.1774","0.001","15.4767","0.0007","26.0442","0.0013","90","","113.168","0.0018","90","","8588.9","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,3-Dimethoxy-<i>meso</i>-tetrakis(pentafluorophenyl)morpholinochlorin methylene chloride 0.44-solvate","","- C46.44 H16.88 Cl0.88 F20 N4 O3 -","- C46.44 H16.88 Cl0.88 F20 N4 O3 -","- C371.52 H135.04 Cl7.04 F160 N32 O24 -","8","1","IS5543","Churchill, Serena B. S.; Sharma, Meenakshi; Brückner, Christian; Zeller, Matthias","Crystal structure of 2,3-dimethoxy-<i>meso</i>-tetrakis(pentafluorophenyl)morpholinochlorin methylene chloride 0.44-solvate","Acta Crystallographica Section E","2020","76","8","1222","1228","10.1107/S2056989020009093","","","0.71073","MoKα","","0.1016","0.058","","","0.1415","0.1644","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","254110","2020-10-21","18:00:00",""
"2243475","10.1911","0.0004","10.7274","0.0006","11.7692","0.0006","98.55","0.005","105.632","0.004","111.015","0.004","1112.76","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C48 H46 N6 O6 S2 -","2","1","DX2029","Surya Prakash Rao, H.; Gunasundari, Ramalingam; Muthukumaran, Jayaraman","Crystal structure analysis of ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","Acta Crystallographica Section E","2020","76","8","1209","1212","10.1107/S2056989020008841","","","0.71073","MoKα","","0.0713","0.048","","","0.1452","0.1684","","","","","","1.064","","","","has coordinates,has Fobs","254111","2020-10-21","18:00:00",""
"2243476","5.0472","0.0004","9.3118","0.0007","13.9581","0.0015","90","","99.708","0.008","90","","646.62","0.1","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.0857","0.0429","","","0.0911","0.1021","","","","","","0.836","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243477","8.3496","0.0006","5.2632","0.0002","14.2969","0.001","90","","99.8","0.006","90","","619.12","0.07","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.0519","0.0355","","","0.0834","0.0899","","","","","","0.942","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243478","5.2133","0.0003","18.3625","0.0012","26.0799","0.0019","90","","90","","90","","2496.6","0.3","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.1218","0.0383","","","0.0661","0.08","","","","","","0.742","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243479","14.3622","0.0011","16.5258","0.0011","16.8246","0.0012","90","","92.347","0.003","90","","3989.9","0.5","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ~2~-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate","","- C68 H72 Dy Mn4 N8 Na O32 -","- C68 H72 Dy Mn4 N8 Na O32 -","- C136 H144 Dy2 Mn8 N16 Na2 O64 -","2","1","PK2637","Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate","Acta Crystallographica Section E","2020","76","8","1213","1221","10.1107/S2056989020008853","","","0.71073","MoKα","","0.11","0.0733","","","0.1916","0.219","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","254113","2020-10-21","18:00:00",""
"2243480","19.9869","0.0009","19.9869","0.0009","13.957","0.0011","90","","90","","90","","5575.5","0.6","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ~2~-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) <i>N</i>,<i>N</i>-dimethylacetamide decasolvate","","- C96 H134 Dy Mn4 N14 Na O38 -","- C96 H134 Dy Mn4 N14 Na O38 -","- C192 H268 Dy2 Mn8 N28 Na2 O76 -","2","0.25","PK2637","Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate","Acta Crystallographica Section E","2020","76","8","1213","1221","10.1107/S2056989020008853","","","0.71073","MoKα","","0.0642","0.0505","","","0.1361","0.1514","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","254113","2020-10-21","18:00:00",""
"2243481","17.1798","0.0006","8.7991","0.0002","18.7608","0.0007","90","","99.711","0.003","90","","2795.37","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{(3,5-dimethylpyrazol-1-yl)dihydro[3-(pyridin-2-yl)pyrazol-1-yl]borato}iron(II)","","- C26 H30 B2 Fe N10 -","- C26 H30 B2 Fe N10 -","- C104 H120 B8 Fe4 N40 -","4","1","WM5574","Ossinger, Sascha; Näther, Christian; Tuczek, Felix","Crystal structure of bis{(3,5-dimethylpyrazol-1-yl)dihydro[3-(pyridin-2-yl)pyrazol-1-yl]borato}iron(II)","Acta Crystallographica Section E","2020","76","8","1266","1270","10.1107/S2056989020009214","","","0.71073","MoKα","","0.0439","0.034","","","0.0861","0.0906","","","","","","1.042","","","","has coordinates,has Fobs","254200","2020-10-21","18:00:00",""
"2243482","15.4653","0.0004","7.9639","0.0002","24.8116","0.0007","90","","90","","90","","3055.9","0.14","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol","","- C32 H30 N4 O2 S4 -","- C32 H30 N4 O2 S4 -","- C128 H120 N16 O8 S16 -","4","0.5","HB7929","Paulus, Georgiana; Kwong, Huey Chong; Crouse, Karen A.; Tiekink, Edward R. T.","2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","8","1245","1250","10.1107/S2056989020008762","","","1.54178","CuKα","","0.0413","0.0377","","","0.0989","0.1022","","","","","","1.039","","","","has coordinates,has Fobs","254201","2020-10-21","18:00:00",""
"2243483","8.1035","0.0004","9.1965","0.0005","12.3665","0.0007","102.421","0.002","95.88","0.002","91.105","0.002","894.48","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-{2,2-Dichloro-1-[(3,5-dimethylphenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C18 H19 Cl2 N3 -","- C18 H19 Cl2 N3 -","- C36 H38 Cl4 N6 -","2","1","HB7912","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Mammadova, Gunay Z.; Shadrack, Daniel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{2,2-dichloro-1-[(3,5-dimethylphenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","8","1251","1254","10.1107/S2056989020009202","","","0.71073","MoKα","","0.055","0.0449","","","0.114","0.1249","","","","","","1.032","","","","has coordinates,has Fobs","254202","2020-10-21","18:00:00",""
"2243484","8.1488","0.0011","11.2243","0.0015","12.6378","0.0017","64.049","0.002","74.184","0.002","86.067","0.002","998.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","6-Bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C20 H24 Br2 N4 -","- C20 H24 Br2 N4 -","- C40 H48 Br4 N8 -","2","1","WM5570","Jabri, Zainab; Sebbar, Nada Kheira; Hökelek, Tuncer; Mague, Joel T.; Sabir, Safia; Rodi, Youssef Kandri; Misbahi, Khalid","Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2020","76","8","1234","1238","10.1107/S2056989020008889","","","0.71073","MoKα","","0.0594","0.0458","","","0.1324","0.1396","","","","","","1.12","","","","has coordinates,has Fobs","254203","2020-10-21","18:00:00",""
"2243485","40.843","0.002","6.9072","0.0004","8.0031","0.0004","90","","91.891","0.002","90","","2256.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaquabis(<i>N</i>-benzoylglycinato)cobalt(II)]-μ-aqua] dihydrate]","","- C18 H26 Co N2 O11 -","- C18 H26 Co N2 O11 -","- C72 H104 Co4 N8 O44 -","4","0.5","EX2034","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates","Acta Crystallographica Section E","2020","76","8","1260","1265","10.1107/S2056989020009287","","","0.71073","MoKα","","0.0641","0.0366","","","0.0702","0.086","","","","","","1.082","","","","has coordinates,has Fobs","254204","2020-10-21","18:00:00",""
"2243486","40.884","0.004","6.9438","0.0008","7.8983","0.0008","90","","91.9","0.002","90","","2241","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaquabis(<i>N</i>-benzoylglycinato)nickel(II)]-μ-aqua] dihydrate]","","- C18 H26 N2 Ni O11 -","- C18 H26 N2 Ni O11 -","- C72 H104 N8 Ni4 O44 -","4","0.5","","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates","Acta Crystallographica Section E","2020","76","8","1260","1265","10.1107/S2056989020009287","","","0.71073","MoKα","","0.0631","0.0562","","","0.1472","0.1511","","","","","","1.15","","","","has coordinates,has Fobs","254204","2020-10-21","18:00:00",""
"2243487","10.2778","0.0007","11.4064","0.0011","17.5586","0.0015","90","","90","","90","","2058.4","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","6,6'-[(Cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)","","- C24 H33 N O2 -","- C24 H33 N O2 -","- C96 H132 N4 O8 -","4","1","HB7926","Wannapaiboon, Suttipong; Hanlumyuang, Yuranan; Chansaenpak, Kantapat; Pinyou, Piyanut; Veranitisagul, Chatchai; Laobuthee, Apirat; Wattanathana, Worawat","Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a dihydrobenzoxazine: 6,6'-[(cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)","Acta Crystallographica Section E","2020","76","8","1239","1244","10.1107/S2056989020009184","","","0.71073","MoKα","","0.067","0.0526","","","0.1295","0.139","","","","","","1.037","","","","has coordinates,has Fobs","254205","2020-10-21","18:00:00",""
"2243488","8.7077","0.0008","10.4281","0.001","12.1329","0.0011","101.111","0.007","92.087","0.007","113.161","0.008","986.22","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","7,7'-[(pyridin-2-yl)methylene]bis(5-chloroquinolin-8-ol)","","- C24 H15 Cl2 N3 O2 -","- C24 H15 Cl2 N3 O2 -","- C48 H30 Cl4 N6 O4 -","2","1","IS5545","Kashiwagi, Yukiyasu; Kubono, Koji; Tamai, Toshiyuki","Crystal structure of 7,7'-[(pyridin-2-yl)methylene]bis(5-chloroquinolin-8-ol)","Acta Crystallographica Section E","2020","76","8","1271","1274","10.1107/S2056989020009317","","","0.71075","MoKα","","0.0686","0.0498","","","0.1096","0.1194","","","","","","1.072","","","","has coordinates,has Fobs","254305","2020-10-21","18:00:00",""
"2243489","6.0376","0.0005","8.6293","0.0007","15.5903","0.0012","92.315","0.001","99.589","0.001","90.657","0.001","800.12","0.11","100","0.2","100","2","","","","","","","","5","P -1","-P 1","2","silver 3-sulfobenzoic acid","Silver(I) 3-carboxybenzenesulfonate","","- C7 H5 Ag O5 S -","- C7 H5 Ag O5 S -","- C28 H20 Ag4 O20 S4 -","4","2","MW2166","Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep","The low-temperature triclinic crystal structure of silver 3-sulfobenzoic acid","Acta Crystallographica Section E","2020","76","8","1275","1278","10.1107/S2056989020009408","","","0.71073","MoKα","","0.0282","0.0226","","","0.0548","0.0573","","","","","","1.024","","","","has coordinates,has Fobs","254306","2020-10-21","18:00:00",""
"2243490","11.5556","0.0011","11.0774","0.0013","14.6105","0.0017","90","","93.794","0.004","90","","1866.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaaquanickel(II) bis[triaqua-μ~3~-oxalato-di-μ-oxalato-bariumchromate(III)] tetrahydrate","","- C12 H32 Ba2 Cr2 Ni O40 -","- C12 H32 Ba2 Cr2 Ni O40 -","- C24 H64 Ba4 Cr4 Ni2 O80 -","2","0.5","WM5572","Mbiangué, Yves Alain; Ndinga, Manelsa Lande; Nduga, Jean Pierre; Wenger, Emmanuel; Lecomte, Claude","Hexaaquanickel(II) bis[triaqua-μ~3~-oxalato-di-μ-oxalato-bariumchromate(III)] tetrahydrate","Acta Crystallographica Section E","2020","76","8","1316","1319","10.1107/S2056989020009536","","","0.71073","MoKα","","0.0393","0.0263","","","0.0537","0.0577","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","254388","2020-10-21","18:00:00",""
"2243491","7.0695","0.0004","10.8321","0.0005","14.4349","0.0006","90","","101.556","0.003","90","","1082.98","0.09","219","2","219","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4,6-Trimethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione monohydrate","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","1","YK2133","Zouitini, Ayman; Faizi, Md. Serajul Haque; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Mashrai, Ashraf","Synthesis, crystal structure at 219K and Hirshfeld surface analyses of 1,4,6-trimethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione monohydrate","Acta Crystallographica Section E","2020","76","8","1296","1301","10.1107/S2056989020009573","","","0.71073","MoKα","","0.0802","0.067","","","0.1419","0.1473","","","","","","1.243","","","","has coordinates,has disorder,has Fobs","254389","2020-10-21","18:00:00",""
"2243492","12.49907","0.00016","6.41302","0.00008","17.8772","0.0002","90","","99.8083","0.0006","90","","1412.03","0.03","173","2","172.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","","- C17 H14 Br N O2 -","- C17 H14 Br N O2 -","- C68 H56 Br4 N4 O8 -","4","1","HB7931","Hulsman, Andrew; Lorenzana, Isabel; Schultz, Theodore; Squires, Breezy; Stenfors, Brock A.; Tolonen, Mason; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of the anhydride 4-oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione and the related imide 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","Acta Crystallographica Section E","2020","76","8","1311","1315","10.1107/S2056989020009512","","","1.54178","CuKα","","0.0298","0.0271","","","0.07","0.0719","","","","","","1.037","","","","has coordinates,has Fobs","254390","2020-10-21","18:00:00",""
"2243493","11.3538","0.0003","7.4062","0.0002","20.5398","0.0005","90","","92.6226","0.0015","90","","1725.35","0.08","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","2","HB7931","Hulsman, Andrew; Lorenzana, Isabel; Schultz, Theodore; Squires, Breezy; Stenfors, Brock A.; Tolonen, Mason; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of the anhydride 4-oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione and the related imide 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","Acta Crystallographica Section E","2020","76","8","1311","1315","10.1107/S2056989020009512","","","1.54178","CuKα","","0.0482","0.0452","","","0.1136","0.1163","","","","","","1.059","","","","has coordinates,has Fobs","254390","2020-10-21","18:00:00",""
"2243494","8.9311","0.0003","17.2458","0.0006","15.6857","0.0005","90","","99.361","0.003","90","","2383.8","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(<i>Z</i>)-<i>N</i>-(3-Fluorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I)","","- C26 H22 Au F N O P S -","- C26 H22 Au F N O P S -","- C104 H88 Au4 F4 N4 O4 P4 S4 -","4","1","HB7932","Yeo, Chien Ing; Tan, Sang Loon; Kwong, Huey Chong; Tiekink, Edward R. T.","[(<i>Z</i>)-<i>N</i>-(3-Fluorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I): crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","8","1284","1290","10.1107/S2056989020009469","","","0.71073","MoKα","","0.0264","0.023","","","0.0487","0.0504","","","","","","1.075","","","","has coordinates,has Fobs","254391","2020-10-21","18:00:00",""
"2243495","17.7764","0.0003","17.7764","0.0003","4.2223","0.0001","90","","90","","90","","1334.25","0.04","230","","230","","","","","","","","","4","P -4 21 m","P -4 2ab","113","caesium propionate monohydrate","Caesium propanoate monohydrate","","- C3 H7 Cs O3 -","- C3 H7 Cs O3 -","- C24 H56 Cs8 O24 -","8","1","DJ2008","Samolová, Erika; Fábry, Jan","Caesium propanoate monohydrate","Acta Crystallographica Section E","2020","76","8","1307","1310","10.1107/S2056989020009639","","x-ray","0.71073","MoKα","","0.0165","0.0142","","","0.0359","0.0374","","","","1.1","1.1","1.1","","","","has coordinates,has Fobs","254392","2020-10-21","18:00:00",""
"2243496","7.4537","0.0001","8.0674","0.0001","8.1025","0.0001","83.791","0.001","82.591","0.001","71.407","0.001","456.768","0.01","298","","296.15","","","","","","","","","5","P -1","-P 1","2","","Bis(2-aminopyridinium) hexachloridostannate(IV)","","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","1","0.5","HB7922","Ghallab, Rochdi; Boutebdja, Mehdi; Dénès, George; Merazig, Hocine","Synthesis, crystal structure and Hirshfeld surface of bis(2-aminopyridinium) hexachloridostannate(IV)","Acta Crystallographica Section E","2020","76","8","1279","1283","10.1107/S205698902000941X","","x-ray","0.71073","MoKα","","0.0186","0.0168","","","0.0359","0.0367","","","","","","1.061","","","","has coordinates,has Fobs","254393","2020-10-21","18:00:00",""
"2243497","10.8832","0.0018","11.4742","0.0019","19.905","0.003","74.295","0.005","89.791","0.005","88.502","0.006","2392","0.7","296","","296","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[(4,4'-bipyridine-κ<i>N</i>)(μ-2-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')(2-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-[aquahemi(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(2-hydroxybenzoato-κ<i>O</i>)(2-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]","","- C53 H42 Co2 N5 O13 -","- C53 H42 Co2 N5 O13 -","- C106 H84 Co4 N10 O26 -","2","1","IS5544","Saelim, Thawanrat; Chainok, Kittipong; Kielar, Filip; Wannarit, Nanthawat","Crystal structure of a novel one-dimensional zigzag chain-like cobalt(II) coordination polymer constructed from 4,4'-bipyridine and 2-hydroxybenzoate ligands","Acta Crystallographica Section E","2020","76","8","1302","1306","10.1107/S2056989020009482","","x-ray","0.71073","MoKα","","0.0506","0.0347","","","0.0808","0.0877","","","","","","1.045","","","","has coordinates,has Fobs","254394","2020-10-21","18:00:00",""
"2243498","7.1212","0.0014","12.711","0.003","7.6991","0.0016","90","","105.94","0.007","90","","670.1","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C26 H18 Cl4 N6 O4 -","2","1","VM2237","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Mlowe, Sixberth","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","8","1291","1295","10.1107/S2056989020009433","","","0.71073","MoKα","","0.0402","0.0307","","","0.0604","0.0635","","","","","","1.107","","","","has coordinates,has Fobs","254395","2020-10-21","18:00:00",""
"2243499","6.5739","0.0004","22.9278","0.0015","6.0647","0.0004","90","","93.77","0.001","90","","912.12","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pipecolic acid diperoxosolvate","<i>DL</i>-Piperidinium-2-carboxylate bis(hydrogen peroxide)","","- C6 H15 N O6 -","- C6 H15 N O6 -","- C24 H60 N4 O24 -","4","1","FY2147","Navasardyan, Mger A.; Grishanov, Dmitry A.; Prikhodchenko, Petr V.; Churakov, Andrei V.","<small>DL</small>-Piperidinium-2-carboxylate bis(hydrogen peroxide): unusual hydrogen-bonded peroxide chains","Acta Crystallographica Section E","2020","76","8","1331","1335","10.1107/S205698902000972X","","","0.71073","MoKα","","0.0346","0.0306","","","0.0815","0.0837","","","","","","1.078","","","","has coordinates,has Fobs","254470","2020-10-21","18:00:00",""
"2243500","6.2592","0.0005","7.2229","0.0006","28.551","0.003","90","","90","","90","","1290.8","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C60 H48 F12 N4 O4 -","4","1","MW2164","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of 4-methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2020","76","8","1325","1330","10.1107/S2056989020009615","","","0.71073","MoKα","","0.089","0.0733","","","0.1952","0.2127","","","","","","0.989","","","","has coordinates,has Fobs","254473","2020-10-21","18:00:00",""
"2243501","8.0534","0.0005","6.3764","0.0003","25.3657","0.0016","90","","96.392","0.005","90","","1294.47","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{[(3-Chloro-4-methylphenyl)imino]methyl}-4-methylphenol","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","VM2236","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-2-{[(3-chloro-4-methylphenyl)imino]methyl}-4-methylphenol","Acta Crystallographica Section E","2020","76","8","1320","1324","10.1107/S2056989020009421","","","0.71073","MoKα","","0.0618","0.045","","","0.1292","0.1374","","","","","","1.028","","","","has coordinates,has Fobs","254474","2020-10-21","18:00:00",""
"2243502","8.121","0.002","8.433","0.002","9.154","0.002","68.918","0.012","80.523","0.012","71.27","0.009","553.1","0.2","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","Di-μ-iodido-bis[(acetonitrile-κ<i>N</i>)(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)copper(I)]","","- C14 H20 Cu2 I2 N4 O2 S2 -","- C14 H20 Cu2 I2 N4 O2 S2 -","- C14 H20 Cu2 I2 N4 O2 S2 -","1","0.5","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","0.71073","MoKα","","0.0126","0.0121","","","0.03","0.0301","","","","","","1.072","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243503","14.4669","0.0008","12.2157","0.0007","16.9969","0.0011","90","","112.562","0.005","90","","2773.9","0.3","104.97","","104.97","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(acetonitrile-κ<i>N</i>)tetra-μ~3~-iodido-bis(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)-<i>tetrahedro</i>-tetracopper(I)","","- C14 H20 Cu4 I4 N4 O2 S2 -","- C14 H20 Cu4 I4 N4 O2 S2 -","- C56 H80 Cu16 I16 N16 O8 S8 -","4","0.5","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0263","0.0255","","","0.0628","0.0634","","","","","","1.101","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243504","26.982","0.011","8.195","0.004","7.351","0.003","90","","90","","90","","1625.4","1.2","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[(μ-6-sulfanylidenepiperidin-2-one-κ^2^<i>O</i>:<i>S</i>)copper(I)]-μ~3~-iodido]","","- C5 H7 Cu I N O S -","- C5 H7 Cu I N O S -","- C40 H56 Cu8 I8 N8 O8 S8 -","8","1","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0356","0.0322","","","0.0796","0.0819","","","","","","1.07","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243505","13.2866","0.0009","11.6974","0.0013","14.8089","0.0009","90","","96.998","0.006","90","","2284.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(piperidine-2,6-dithione-κ<i>S</i>)copper(I)]-μ~3~-iodido]","","- C10 H14 Cu2 I2 N2 S4 -","- C10 H14 Cu2 I2 N2 S4 -","- C40 H56 Cu8 I8 N8 S16 -","4","1","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0501","0.0479","","","0.1233","0.1257","","","","","","1.064","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243506","15.174","0.005","4.1188","0.0016","15.785","0.006","90","","92.98","0.02","90","","985.2","0.6","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[(μ-isoindoline-1,3-dithione-κ^2^<i>S</i>:<i>S</i>)copper(I)]-μ~3~-iodido]","","- C8 H5 Cu I N S2 -","- C8 H5 Cu I N S2 -","- C32 H20 Cu4 I4 N4 S8 -","4","1","","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","0.71073","MoKα","","0.0429","0.036","","","0.0866","0.089","","","","","","1.056","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243507","9.2002","0.0004","9.4306","0.0004","11.7651","0.0004","94.639","0.003","110.091","0.004","97.599","0.003","941.46","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1-)}di-μ-chlorido-tetrachloridotetrazinc(II)","","- C26 H26 Cl6 N12 O4 Zn4 -","- C26 H26 Cl6 N12 O4 Zn4 -","- C26 H26 Cl6 N12 O4 Zn4 -","1","0.5","EX2035","Seck, Thierno Moussa; Gaye, Papa Aly; Ndoye, Cheikh; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed","Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1‒)}di-μ-chlorido-tetrachloridotetrazinc(II)","Acta Crystallographica Section E","2020","76","8","1349","1352","10.1107/S2056989020009834","","x-ray","0.71073","MoKα","","0.0526","0.0386","","","0.095","0.1025","","","","","","1.045","","","","has coordinates,has Fobs","254581","2020-10-21","18:00:00",""
"2243508","7.4471","0.0006","9.9016","0.0009","22.052","0.002","90","","94.184","0.003","90","","1621.7","0.2","303","2","303.22","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium iodide","2-(1<i>H</i>-Indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-<i>N</i>-propylazanium iodide","","- C15 H23 I N2 -","- C15 H23 I N2 -","- C60 H92 I4 N8 -","4","1","ZQ2255","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Quaternary tryptammonium salts: <i>N</i>,<i>N</i>-dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium (DMPT) iodide and <i>N</i>-allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium (DMALT) iodide","Acta Crystallographica Section E","2020","76","8","1357","1360","10.1107/S2056989020010014","","","0.71073","MoKα","","0.0418","0.0276","","","0.0501","0.0537","","","","","","1.128","","","","has coordinates,has Fobs","254582","2020-10-21","18:00:00",""
"2243509","7.3471","0.0008","9.9672","0.0009","10.9499","0.0011","90","","94.671","0.003","90","","799.2","0.14","303.22","","303.22","","","","","","","","","4","P 1 21 1","P 2yb","4","<i>N</i>-Allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium iodide","2-(1<i>H</i>-Indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-<i>N</i>-(prop-2-en-1-yl)azanium iodide","","- C7.5 H10.5 I0.5 N -","- C7.5 H10.5 I0.5 N -","- C30 H42 I2 N4 -","4","2","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Quaternary tryptammonium salts: <i>N</i>,<i>N</i>-dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium (DMPT) iodide and <i>N</i>-allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium (DMALT) iodide","Acta Crystallographica Section E","2020","76","8","1357","1360","10.1107/S2056989020010014","","","0.71073","MoKα","","0.0287","0.0268","","","0.0696","0.0707","","","","","","1.133","","","","has coordinates,has disorder,has Fobs","254582","2020-10-21","18:00:00",""
"2243510","7.1664","0.0002","15.5088","0.0004","11.6516","0.0004","90","","101.202","0.003","90","","1270.31","0.07","112","0.3","112","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,10-Phenanthrolinium pentafluoridooxidotungstate(VI)","","- C12 H9 F5 N2 O W -","- C12 H9 F5 N2 O W -","- C48 H36 F20 N8 O4 W4 -","4","1","CQ2038","Turnbull, Douglas; Gerken, Michael","Crystal structure of an ordered [WOF~5~]^{-^} salt: (1,10-phen-H)[WOF~5~] (1,10-phen = 1,10-phenanthroline)","Acta Crystallographica Section E","2020","76","8","1345","1348","10.1107/S2056989020009767","","x-ray","0.71073","MoKα","","0.0189","0.0162","","","0.0368","0.0376","","","","","","1.061","","","","has coordinates,has Fobs","254583","2020-10-21","18:00:00",""
"2243511","5.6085","0.0004","18.1641","0.0011","10.6884","0.0007","90","","97.86","0.004","90","","1078.63","0.12","299.82","","299.82","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(propanosulfonate)-N,N-butyl-bis(imidazole) dihydrate","3,3'-[1,1'-(Butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium-3,1-diyl)]bis(propane-1-sulfonate) dihydrate","","- C16 H30 N4 O8 S2 -","- C16 H30 N4 O8 S2 -","- C32 H60 N8 O16 S4 -","2","0.5","WM5571","Udvardy, Antal; De, Sourav; Gál, Tamás Gyula; Papp, Gábor; Czégéni, Csilla Eniko; Joó, Ferenc","Crystal structure of zwitterionic 3,3'-[1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium-3,1-diyl)]bis(propane-1-sulfonate) dihydrate","Acta Crystallographica Section E","2020","76","8","1353","1356","10.1107/S2056989020009779","","","1.54178","CuKα","","0.0641","0.0477","","","0.0975","0.1093","","","","","","1.107","","","","has coordinates,has Fobs","254584","2020-10-21","18:00:00",""
"2243512","8.7807","0.0009","11.9566","0.0012","12.9121","0.0013","77.982","0.001","78.711","0.001","75.612","0.001","1269.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone","","- C32 H28 N2 O -","- C32 H28 N2 O -","- C64 H56 N4 O2 -","2","1","IS5547","Naghiyev, Farid N.; Mammadova, Gunay Z.; Mamedov, Ibrahim G.; Huseynova, Afet T.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.","Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone with an unknown solvent","Acta Crystallographica Section E","2020","76","8","1365","1368","10.1107/S2056989020009871","","","0.71073","MoKα","","0.0829","0.0508","","","0.1031","0.1168","","","","","","1.034","","","","has coordinates,has Fobs","254585","2020-10-21","18:00:00",""
"2243513","9.0844","0.0012","18.7227","0.0018","11.2708","0.0014","90","","104.848","0.004","90","","1853","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","MW2165","Cinar, Emine Berrin; Zouitini, Ayman; Kandri Rodi, Youssef; Ouzidan, Younes; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Saif, Eiad","Synthesis, crystal structures and Hirshfeld surface analysis of 1,4-dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione","Acta Crystallographica Section E","2020","76","8","1361","1364","10.1107/S2056989020009895","","","0.71073","MoKα","","0.1097","0.0601","","","0.1584","0.1876","","","","","","1.038","","","","has coordinates,has Fobs","254586","2020-10-21","18:00:00",""
"2243514","10.5035","0.0004","15.2782","0.0005","20.9003","0.0007","80.266","0.003","86.443","0.003","78.066","0.003","3233","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(5-Bromo-1,10-πhenanthroline-κ^2^<i>N</i>,<i>N</i>')bis[dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>^2^,<i>N</i>^2'^]iron(II) toluene disolvate","","- C31 H31 B2 Br Fe N10 -","- C27.5 H27 B2 Br Fe N10 -","- C110 H108 B8 Br4 Fe4 N40 -","4","2","WM5576","Ossinger, Sascha; Näther, Christian; Tuczek, Felix","Crystal structure of bis(5-bromo-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis[dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>^2^,<i>N</i>^2'^]iron(II) toluene disolvate","Acta Crystallographica Section E","2020","76","8","1398","1402","10.1107/S2056989020010361","","","0.71073","MoKα","","0.0871","0.0533","","","0.1249","0.1392","","","","","","1.018","","","","has coordinates,has Fobs","254727","2020-10-21","18:00:00",""
"2243515","13.3288","0.0013","11.214","0.0008","13.8579","0.0013","90","","97.667","0.008","90","","2052.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C12 H24 Co N6 S4 -","- C12 H24 Co N6 S4 -","- C48 H96 Co4 N24 S16 -","4","1","TX2029","Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian","Crystal structure of bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2020","76","8","1373","1377","10.1107/S205698902001021X","","","0.71073","MoKα","","0.0377","0.0308","","","0.0809","0.084","","","","","","1.018","","","","has coordinates,has Fobs","254728","2020-10-21","18:00:00",""
"2243516","12.412","0.002","12.855","0.002","6.599","0.001","90","","114.727","0.002","90","","956.4","0.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Sodium manganese indium tris(phosphate) (2.22/0.87/1.68)","","- In1.68 Mn0.87 Na2.22 O12 P3 -","- In1.6886 Mn0.8552 Na2.2238 O12 P3 -","- In6.7544 Mn3.4208 Na8.8952 O48 P12 -","4","0.5","WM5566","Badri, Abdessalem; Alvarez-Serrano, Inmaculada; Luisa López, María; Ben Amara, Mongi","Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na~2.22~Mn~0.87~In~1.68~(PO~4~)~3~","Acta Crystallographica Section E","2020","76","8","1369","1372","10.1107/S2056989020010191","","","0.71073","MoKα","","0.0215","0.0212","","","0.0534","0.0535","","","","","","1.308","","","","has coordinates,has Fobs","254729","2020-10-21","18:00:00",""
"2243517","22.6809","0.0013","20.5788","0.0011","27.6206","0.0016","90","","101.59","0.002","90","","12628.9","1.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Poly[[μ~3~-acetato-hexakis(μ-<i>N</i>,<i>N</i>-dimethylformamide)bis(<i>N</i>,<i>N</i>-dimethylformamide)bis[salicylhydroximato(2-)]heptakis[salicylhydroximato(3-)]hexaaluminium(III)dysprosium(III)pentasodium(I)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate monohydrate]","","- C101 H127 Al6 Dy N21 Na5 O42 -","- C101 H127 Al6 Dy N21 Na5 O42 -","- C404 H508 Al24 Dy4 N84 Na20 O168 -","4","1","PK2639","Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets","Acta Crystallographica Section E","2020","76","8","1378","1390","10.1107/S2056989020010130","","","0.71073","MoKα","","0.0718","0.0561","","","0.1463","0.1588","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","254730","2020-10-21","18:00:00",""
"2243518","28.1847","0.0014","15.3683","0.0008","30.7354","0.0016","90","","106.461","0.002","90","","12767.4","1.1","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","Poly[[di-μ~4~-acetato-nonakis(μ-<i>N</i>,<i>N</i>-dimethylformamide)octakis(<i>N</i>,<i>N</i>-dimethylformamide)tetrakis[salicylhydroximato(2-)]tetradecakis[salicylhydroximato(3-)]dodecaaluminium(III)didysprosium(III)decasodium(I)] <i>N</i>,<i>N</i>-dimethylformamide 6.335-solvate]","","- C200.01 H245.35 Al12 Dy2 N41.34 Na10 O81.34 -","- C200.005 H245.345 Al12 Dy2 N41.335 Na10 O81.335 -","- C400.01 H490.69 Al24 Dy4 N82.67 Na20 O162.67 -","2","1","","Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets","Acta Crystallographica Section E","2020","76","8","1378","1390","10.1107/S2056989020010130","","","1.54178","CuKα","","0.0557","0.0527","","","0.1351","0.1374","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","254730","2020-10-21","18:00:00",""
"2243519","4.3815","0.0002","15.3348","0.0006","14.5894","0.0006","90","","96.588","0.001","90","","973.78","0.07","150","2","150","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diiodo-4-nitrotoluene","","- C7 H5 I2 N O2 -","- C7 H5 I2 N O2 -","- C28 H20 I8 N4 O8 -","4","1","DJ2011","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Brihi, Ouarda; Jeannin, Olivier; Meinnel, Jean","Crystal structure and Hirshfeld surface analysis of 2,6-diiodo-4-nitrotoluene and 2,4,6-tribromotoluene","Acta Crystallographica Section E","2020","76","8","1391","1397","10.1107/S2056989020010270","","","0.71073","MoKα","","0.0325","0.0236","","","0.0432","0.0457","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","254731","2020-10-21","18:00:00",""
"2243520","14.3484","0.0011","3.9955","0.0003","15.6975","0.0012","90","","110.519","0.002","90","","842.83","0.11","150","2","150","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","2,4,6-Tribromotoluene","","- C7 H5 Br3 -","- C7 H5 Br3 -","- C28 H20 Br12 -","4","1","DJ2011","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Brihi, Ouarda; Jeannin, Olivier; Meinnel, Jean","Crystal structure and Hirshfeld surface analysis of 2,6-diiodo-4-nitrotoluene and 2,4,6-tribromotoluene","Acta Crystallographica Section E","2020","76","8","1391","1397","10.1107/S2056989020010270","","","0.71073","MoKα","","0.0337","0.025","","","0.047","0.0489","","","","","","1.076","","","","has coordinates,has Fobs","254731","2020-10-21","18:00:00",""
"2243521","5.9573","0.0001","29.381","0.0003","8.0664","0.0001","90","","100.202","0.001","90","","1389.55","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ferrocenyl-2-(4-nitrophenyl)ethyne","","- C18 H13 Fe N O2 -","- C18 H13 Fe N O2 -","- C72 H52 Fe4 N4 O8 -","4","1","DJ2003","Delgado Rivera, Sara M.; González Espiet, Jean C.; Dones, Jesús M.; Henríquez López, Sebastián A.; Guadalupe, Ana R.; Piñero Cruz, Dalice M.; Montes González, Ingrid","Crystal structure of 1-ferrocenyl-2-(4-nitrophenyl)ethyne","Acta Crystallographica Section E","2020","76","8","1403","1406","10.1107/S2056989020010336","","x-ray","1.54184","CuKα","","0.0256","0.0237","","","0.0603","0.0612","","","","","","1.066","","","","has coordinates,has Fobs","254732","2020-10-21","18:00:00",""
"2243522","7.4634","0.0001","10.3902","0.0001","8.3747","0.0001","90","","106.49","","90","","622.715","0.013","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium scandium diphosphate","","- K O7 P2 Sc -","- K O7 P2 Sc -","- K4 O28 P8 Sc4 -","4","1","WM5578","Redhammer, Günther J.; Tippelt, Gerold","The crystal structure of KScP~2~O~7~","Acta Crystallographica Section E","2020","76","9","1412","1416","10.1107/S2056989020010427","","x-ray","0.71073","MoKα","","0.0189","0.0179","","","0.0481","0.0488","","","","","","1.054","","","","has coordinates","254834","2020-10-21","18:00:00",""
"2243523","12.1464","0.0007","21.0777","0.0012","12.5842","0.0007","90","","115.277","0.002","90","","2913.3","0.3","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabromidotetra-μ-hydroxido-hexakis[μ-2-methyl-3-(pyrrolidin-1-yl)propan-2-olato]hexazinc(II) acetone disolvate","","- C42 H88 Br4 N4 O10 Zn6 -","- C42 H88 Br4 N4 O10 Zn6 -","- C84 H176 Br8 N8 O20 Zn12 -","2","0.5","HB7910","Scheel, Rebecca; Brieger, Lukas; Louven, Kathrin; Strohmann, Carsten","Synthesis and crystal structure of [Zn~6~Br~4~(C~9~H~18~NO)~4~(OH)~4~]·2C~3~H~6~O~2~","Acta Crystallographica Section E","2020","76","7","998","1002","10.1107/S2056989020007100","","x-ray","0.71073","MoKα","","0.0272","0.0209","","","0.0494","0.0514","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","255158","2020-10-21","18:00:00",""
"2243524","11.7405","0.0006","5.3589","0.0002","8.342","0.0004","90","","98.661","0.003","90","","518.86","0.04","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetracopper iron digermanium heptasulfide","","- Cu4 Fe Ge2 S7 -","- Cu4 Fe Ge2 S7 -","- Cu8 Fe2 Ge4 S14 -","2","0.5","HB7920","Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.","Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~","Acta Crystallographica Section E","2020","76","7","1117","1121","10.1107/S2056989020007872","","","0.71073","MoKα","","0.042","0.0339","","","0.0872","0.0938","","","","","","1.064","","","","has coordinates","255159","2020-10-21","18:00:00",""
"2243525","11.728","0.0002","5.33987","0.0001","8.33133","0.00014","90","","98.668","0.0012","90","","515.798","0.016","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetracopper cobalt digermanium heptasulfide","","- Co Cu4 Ge2 S7 -","- Co Cu4 Ge2 S7 -","- Co2 Cu8 Ge4 S14 -","2","0.5","HB7920","Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.","Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~","Acta Crystallographica Section E","2020","76","7","1117","1121","10.1107/S2056989020007872","","","0.71073","MoKα","","0.0348","0.0298","","","0.0713","0.0746","","","","","","1.111","","","","has coordinates","255159","2020-10-21","18:00:00",""
"2243526","12.0071","0.0006","36.1737","0.0015","13.698","0.0006","90","","111.97","0.005","90","","5517.5","0.5","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{μ~2~-1,2-Bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>)","","- C64 H55 Fe O3 P3 Pt S2 -","- C64 H55 Fe O3 P3 Pt S2 -","- C256 H220 Fe4 O12 P12 Pt4 S8 -","4","1","PK2630","Mohamed, Ahmed Said; Jourdain, Isabelle; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten","Crystal structure of {μ~2~-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ^2^<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>), [(OC)~2~Fe(μ-dppm){μ-C(=O)C(4-MeC~6~H~4~SCH~2~)=CCH~2~SC~6~H~4~Me-4}Pt(PPh~3~)]","Acta Crystallographica Section E","2020","76","7","1087","1091","10.1107/S2056989020007859","","x-ray","0.71073","MoKα","","0.0568","0.0366","","","0.0693","0.0764","","","","","","1.029","","","","has coordinates,has Fobs","255160","2020-10-21","18:00:00",""
"2243527","9.4401","0.0004","16.8718","0.0008","21.0246","0.001","90","","92.0668","0.0006","90","","3346.4","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[(tetrahydrofuran)tris[μ-η^5^:η^5^-1-(trimethylsilyl)cyclopentadienyl]caesium(I)ytterbium(II)]","","- C28 H47 Cs O Si3 Yb -","- C28 H47 Cs O Si3 Yb -","- C112 H188 Cs4 O4 Si12 Yb4 -","4","1","ZL2785","Huh, Daniel N.; Ziller, Joseph W.; Evans, William J.","Crystal structure of the [(THF)Cs(μ-η^5^:η^5^-Cp')~3~Yb]~<i>n~</i> oligomer","Acta Crystallographica Section E","2020","76","7","1131","1135","10.1107/S2056989020008051","","","0.71073","MoKα","","0.0496","0.0315","","","0.0519","0.0562","","","","","","1.017","","","","has coordinates,has Fobs","255161","2020-10-21","18:00:00",""
"2243528","7.3811","0.0005","14.9963","0.0009","16.9217","0.001","90","","102.138","0.002","90","","1831.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Anilino-1,4-diphenyl-1<i>H</i>-1,2,4-triazol-4-ium difluorophosphate","","- C20 H17 F2 N4 O2 P -","- C20 H17 F2 N4 O2 P -","- C80 H68 F8 N16 O8 P4 -","4","1","PK2629","Weil, Matthias; Fürst, Markus","Crystal structure of (1,4-diphenyl-4<i>H</i>-1,2,4-triazol-3-yl)phenylamine difluorophosphate, and a survey of the difluorophosphate anion (PO~2~F~2~^{-^})","Acta Crystallographica Section E","2020","76","7","1003","1006","10.1107/S2056989020006933","","","0.71073","MoKα","","0.059","0.0393","","","0.0898","0.0996","","","","","","1.031","","","","has coordinates,has Fobs","255162","2020-10-21","18:00:00",""
"2243529","8.079","0.007","20.134","0.017","7.915","0.007","90","","116.647","0.018","90","","1150.7","1.7","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Nitrophenyl)-4<i>H</i>-chromen-4-one","","- C15 H9 N O4 -","- C15 H9 N O4 -","- C60 H36 N4 O16 -","4","1","YK2138","Oskolkov, Evgenii; Kornilova, Tatiana; Chavez, Preciosa America; Tillotson, John P.; Timofeeva, Tatiana V.","Structural (at 100K) and DFT studies of 2'-nitroflavone","Acta Crystallographica Section E","2020","76","9","1417","1420","10.1107/S2056989020010713","","","0.71073","MoKα","","0.0384","0.0347","","","0.09","0.0933","","","","","","1.05","","","","has coordinates,has Fobs","255206","2020-10-21","18:00:00",""
"2243530","7.1843","0.0001","9.9198","0.0001","12.523","0.0002","84.319","0.001","83.574","0.001","69.151","0.001","827.11","0.02","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","(3<i>E</i>,3'<i>E</i>)-3,3'-[(2-Sulfanylidene-1,3-dithiole-4,5-diyl)bis(sulfanediyl)]bis(4-hydroxypent-3-en-2-one)","","- C13 H14 O4 S5 -","- C13 H14 O4 S5 -","- C26 H28 O8 S10 -","2","1","DX2025","Cordero Giménez, Keysha T.; Soto Díaz, Victoria Y.; González Espiet, Jean C.; Levín Flores, Alexis; Bas Concepción, Jesbaniris; Rivera Cruz, Kevin E.; Rodríguez Ayala, Dara L.; Piñero Cruz, Dalice M.","Crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the di-enol tautomeric form of the compound 3,3'-[(2-sulfanylidene-1,3-dithiole-4,5-diyl)bis(sulfanediyl)]bis(pentane-2,4-dione)","Acta Crystallographica Section E","2020","76","9","1427","1432","10.1107/S2056989020010695","","","1.54184","CuKα","","0.0268","0.0265","","","0.0722","0.0725","","","","","","1.048","","","","has coordinates,has Fobs","255253","2020-10-21","18:00:00",""
"2243531","11.7054","0.0007","13.9151","0.0007","13.3273","0.0008","90","","110.347","0.002","90","","2035.3","0.2","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","<i>fac</i>-Bromidotricarbonyl(diethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C19 H16 Br Mn N2 O7 -","- C19 H16 Br Mn N2 O7 -","- C76 H64 Br4 Mn4 N8 O28 -","4","1","DJ2012","Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai","Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands","Acta Crystallographica Section E","2020","76","9","1433","1436","10.1107/S2056989020010750","","","0.71075","MoKα","","0.0425","0.0365","","","0.0937","0.0977","","","","","","1.069","","","","has coordinates,has Fobs","255254","2020-10-21","18:00:00",""
"2243532","8.8953","0.0009","12.0086","0.0013","23.79","0.003","90","","95.794","0.002","90","","2528.3","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Bromidotricarbonyl(diethyl 2,2'-biquinoline-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C27 H20 Br Mn N2 O7 -","- C27 H20 Br Mn N2 O7 -","- C108 H80 Br4 Mn4 N8 O28 -","4","1","DJ2012","Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai","Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands","Acta Crystallographica Section E","2020","76","9","1433","1436","10.1107/S2056989020010750","","","0.71075","MoKα","","0.068","0.046","","","0.1208","0.134","","","","","","1.05","","","","has coordinates,has Fobs","255254","2020-10-21","18:00:00",""
"2243533","18.0904","0.0007","7.8971","0.0003","19.8043","0.0008","90","","90","","90","","2829.28","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone","","- C13 H12 Cl F3 N2 O3 -","- C13 H12 Cl F3 N2 O3 -","- C104 H96 Cl8 F24 N16 O24 -","8","1","VM2238","Eckhardt, Tamira; Goddard, Richard; Rudolph, Ines; Richter, Adrian; Lehmann, Christoph; Imming, Peter; Seidel, Rüdiger W.","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone: structural characterization of a side product in benzothiazinone synthesis","Acta Crystallographica Section E","2020","76","9","1442","1446","10.1107/S2056989020010658","","","1.54178","CuKα","","0.0432","0.0425","","","0.1141","0.1147","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","255255","2020-10-21","18:00:00",""
"2243534","5.6777","0.0003","23.0873","0.0015","8.7206","0.0006","90","","90.59","0.002","90","","1143.06","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(<i>N</i>,<i>N</i>-Dimethylamino)methyl]ferrocene","","- C13 H17 Fe N -","- C13 H17 Fe N -","- C52 H68 Fe4 N4 -","4","1","HB7933","Krupp, Anna; Wegge, Jessica; Otte, Felix; Kleinheider, Johannes; Wall, Helene; Strohmann, Carsten","Crystal structures of [(<i>N</i>,<i>N</i>-dimethylamino)methyl]ferrocene and (<i>R</i>~p~,<i>R</i>~p~)-bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","Acta Crystallographica Section E","2020","76","9","1437","1441","10.1107/S2056989020010397","","x-ray","0.71073","MoKα","","0.0538","0.047","","","0.115","0.1178","","","","","","1.168","","","","has coordinates,has Fobs","255256","2020-10-21","18:00:00",""
"2243535","12.0132","0.0007","14.0683","0.0008","15.7169","0.0011","90","","90","","90","","2656.2","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>~p~,<i>R</i>~p~)-Bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","","- C28 H38 Fe2 N2 Si -","- C28 H38 Fe2 N2 Si -","- C112 H152 Fe8 N8 Si4 -","4","1","HB7933","Krupp, Anna; Wegge, Jessica; Otte, Felix; Kleinheider, Johannes; Wall, Helene; Strohmann, Carsten","Crystal structures of [(<i>N</i>,<i>N</i>-dimethylamino)methyl]ferrocene and (<i>R</i>~p~,<i>R</i>~p~)-bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","Acta Crystallographica Section E","2020","76","9","1437","1441","10.1107/S2056989020010397","","x-ray","1.54178","CuKα","","0.0303","0.0277","","","0.0624","0.0646","","","","","","1.07","","","","has coordinates,has Fobs","255256","2020-10-21","18:00:00",""
"2243536","4.8283","0.0002","32.0832","0.001","8.0221","0.0003","90","","104.936","0.004","90","","1200.7","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Chloro-2-methylanilino)benzoic acid","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB7936","Blade, Helen; Blundell, Charles D.; Vitorica-Yrezabal, Iñigo J.","Crystal structures of tolfenamic acid polymorphic forms I and II with precise hydrogen-atom positions for nuclear magnetic resonance studies","Acta Crystallographica Section E","2020","76","9","1421","1426","10.1107/S2056989020010841","","x-ray","0.71073","MoKα","","0.0863","0.0641","","","0.1194","0.1265","","","","","","1.0385","","","","has coordinates","255257","2020-10-21","18:00:00",""
"2243537","3.84618","0.00014","21.9502","0.0007","14.1764","0.0005","90","","94.235","0.004","90","","1193.57","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB7936","Blade, Helen; Blundell, Charles D.; Vitorica-Yrezabal, Iñigo J.","Crystal structures of tolfenamic acid polymorphic forms I and II with precise hydrogen-atom positions for nuclear magnetic resonance studies","Acta Crystallographica Section E","2020","76","9","1421","1426","10.1107/S2056989020010841","","x-ray","0.71073","MoKα","","0.0755","0.0456","","","0.0707","0.0765","","","","","","1.0976","","","","has coordinates","255257","2020-10-21","18:00:00",""
"2243538","13.7267","0.001","16.0458","0.0011","28.2591","0.0018","80.675","0.002","84.459","0.002","71.757","0.002","5826.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumgadolinium‒pyridine‒water (1/7.396/1)","","- C119.25 H104.26 Al6 Gd N20.25 O30 -","- C119.255 H104.255 Al6 Gd N20.251 O30 -","- C238.51 H208.51 Al12 Gd2 N40.502 O60 -","2","1","MW2167","Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes","Acta Crystallographica Section E","2020","76","9","1458","1466","10.1107/S2056989020010725","","","0.71073","MoKα","","0.0766","0.0543","","","0.1339","0.1456","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","255341","2020-10-21","18:00:00",""
"2243539","13.7232","0.0006","16.0871","0.0007","28.2946","0.0013","80.632","0.002","83.989","0.002","71.66","0.002","5840.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumdysprosium‒pyridine‒water (1/7.429/1)","","- C119.6 H104.6 Al6 Dy N20.32 O30 -","- C119.6 H104.6 Al6 Dy N20.32 O30 -","- C239.2 H209.2 Al12 Dy2 N40.64 O60 -","2","1","","Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes","Acta Crystallographica Section E","2020","76","9","1458","1466","10.1107/S2056989020010725","","","0.71073","MoKα","","0.0572","0.0478","","","0.1117","0.1158","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","255341","2020-10-21","18:00:00",""
"2243540","13.7254","0.0006","16.0597","0.0008","28.2523","0.0012","80.5334","0.0016","83.7992","0.0017","72.0307","0.0017","5832.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumytterbium‒pyridine‒water (1/7.386/1)","","- C119.02 H104.02 Al6 N20.2 O30 Yb -","- C119.02 H104.02 Al6 N20.204 O30 Yb -","- C238.04 H208.04 Al12 N40.408 O60 Yb2 -","2","1","","Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes","Acta Crystallographica Section E","2020","76","9","1458","1466","10.1107/S2056989020010725","","","0.71073","MoKα","","0.0644","0.0483","","","0.1171","0.1255","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","255341","2020-10-21","18:00:00",""
"2243541","17.021","0.006","16.519","0.005","8.079","0.003","90","","97.552","0.008","90","","2251.9","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(16<i>Z</i>,19<i>E</i>)-18-Oxo-<i>N</i>-(pyridin-2-yl)-6,7,9,10-tetrahydro-18<i>H</i>-dibenzo[<i>h</i>,<i>o</i>][1,4,7]trioxacyclohexadecine-17-carboxamide","","- C27 H24 N2 O5 -","- C27 H24 N2 O5 -","- C108 H96 N8 O20 -","4","1","YK2136","Wodajo, Ayalew T.; Tran, Thi Thanh Van; Truong, Hong Hieu; Tskhovrebov, Alexander G.; Le, The Duan; Khrustalev, Victor N.; Le, Tuan Anh","Synthesis by deamination reaction and crystal structure at 120K of (16<i>Z</i>,19<i>E</i>)-18-oxo-<i>N</i>-(pyridin-2-yl)-6,7,9,10-tetrahydro-18<i>H</i>-dibenzo[<i>h</i>,<i>o</i>][1,4,7]trioxacyclohexadecine-17-carboxamide","Acta Crystallographica Section E","2020","76","9","1454","1457","10.1107/S2056989020010968","","","0.71073","MoKα","","0.1351","0.06","","","0.1326","0.1689","","","","","","0.966","","","","has coordinates,has Fobs","255342","2020-10-21","18:00:00",""
"2243542","15.3539","0.0009","12.5259","0.0007","20.2511","0.0012","90","","107.207","0.001","90","","3720.4","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(diphenylamido-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)yttrium(III)","","- C44 H46 N3 O2 Y -","- C44 H46 N3 O2 Y -","- C176 H184 N12 O8 Y4 -","4","1","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0408","0.0313","","","0.0771","0.0812","","","","","","1.035","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243543","12.0946","0.0005","19.1086","0.0008","16.3609","0.0007","90","","91.3697","0.0005","90","","3780.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(diphenylamido-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)erbium(III)","","- C44 H46 Er N3 O2 -","- C44 H46 Er N3 O2 -","- C176 H184 Er4 N12 O8 -","4","1","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0225","0.0194","","","0.0488","0.0504","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255343","2020-10-21","18:00:00",""
"2243544","9.2776","0.0005","22.5591","0.0013","13.4791","0.0008","90","","91.4966","0.0009","90","","2820.1","0.3","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]bis[bis(diphenylamido-κ<i>N</i>)yttrium(III)]","","- C72 H60 N6 Y2 -","- C72 H60 N6 Y2 -","- C144 H120 N12 Y4 -","2","0.5","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0447","0.0315","","","0.0655","0.0697","","","","","","1.03","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243545","9.3068","0.0015","22.475","0.004","13.513","0.002","90","","91.266","0.002","90","","2825.8","0.8","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]bis[bis(diphenylamido-κ<i>N</i>)dysprosium(III)]","","- C72 H60 Dy2 N6 -","- C72 H60 Dy2 N6 -","- C144 H120 Dy4 N12 -","2","0.5","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0331","0.0255","","","0.0611","0.0652","","","","","","1.046","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243546","12.8857","0.0008","13.6846","0.0009","13.7411","0.0009","61.3447","0.0008","82.7796","0.001","83.0804","0.001","2104.4","0.2","88","2","88","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-diphenylamido-κ^2^<i>N</i>:<i>N</i>)bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]tetrakis(diphenylamido-κ<i>N</i>)di-μ~3~-oxido-tetraerbium(III) benzene disolvate","","- C108 H92 Er4 N8 O2 -","- C108 H92 Er4 N8 O2 -","- C108 H92 Er4 N8 O2 -","1","0.5","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0317","0.0273","","","0.0612","0.0624","","","","","","0.963","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243547","16.807","0.0008","14.4212","0.0006","15.5669","0.0009","90","","118.744","0.004","90","","3308.1","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C8 H16 Co N6 S4 -","- C8 H16 Co N6 S4 -","- C64 H128 Co8 N48 S32 -","8","1","TX2032","Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian","Crystal structure of bis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2020","76","9","1476","1481","10.1107/S2056989020011111","","","0.71073","MoKα","","0.0454","0.0391","","","0.1013","0.1054","","","","","","1.067","","","","has coordinates,has Fobs","255476","2020-10-21","18:00:00",""
"2243548","7.6402","0.0002","13.7578","0.0003","16.7691","0.0003","90","","101.162","0.001","90","","1729.3","0.07","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,15-Dimethyl-7,12-diazoniatricyclo[10.4.0.0^2,7^]hexadeca-1(12),2,4,6,13,15-hexaene dibromide monohydrate","","- C16 H22 Br2 N2 O -","- C16 H22 Br2 N2 O -","- C64 H88 Br8 N8 O4 -","4","1","EX2036","Behrman, Edward J.; Hansen, Alexandar L.; Yuan, Chunhua; Parkin, Sean","4,15-Dimethyl-7,12-diazoniatricyclo[10.4.0.0^2,7^]hexadeca-1(12),2,4,6,13,15-hexaene dibromide monohydrate","Acta Crystallographica Section E","2020","76","9","1467","1471","10.1107/S2056989020011147","","","0.71073","MoKα","","0.0256","0.0197","","","0.0412","0.0431","","","","","","1.055","","","","has coordinates,has Fobs","255477","2020-10-21","18:00:00",""
"2243549","24.798","0.003","4.7133","0.0004","11.533","0.0014","90","","106.751","0.009","90","","1290.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,7-Dimethyl-5a,6,11a,12-tetrahydrobenzo[<i>b</i>]benzo[5,6][1,4]oxazino[2,3-<i>e</i>][1,4]oxazine","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","0.5","YK2135","Çınar, Emine Berrin; Yeşilbağ, Semanur; Doğan, Onur Erman; Ağar, Erbil; Dege, Necmi; Saif, Eiad","Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[<i>b</i>]benzo[5,6][1,4]oxazino[2,3-<i>e</i>][1,4]oxazine","Acta Crystallographica Section E","2020","76","9","1472","1475","10.1107/S2056989020010646","","","0.71073","MoKα","","0.1182","0.0485","","","0.1096","0.1339","","","","","","0.884","","","","has coordinates,has Fobs","255478","2020-10-21","18:00:00",""
"2243550","12.9974","0.0009","13.9305","0.001","14.7162","0.001","106.143","0.003","93.254","0.002","99.819","0.002","2506.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ~3~-hydroxido-nonacopper(II) chloroform disolvate","","- C80 H106 Cl12 Cu9 N20 O6 -","- C80 H106 Cl12 Cu9 N20 O6 -","- C80 H106 Cl12 Cu9 N20 O6 -","1","0.5","HB7934","Dodds, Christopher A.; Kennedy, Alan R.","Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride","Acta Crystallographica Section E","2020","76","9","1486","1490","10.1107/S2056989020011275","","","0.71073","MoKα","","0.0541","0.0477","","","0.1305","0.1372","","","","","","1.041","","","","has coordinates,has Fobs","255589","2020-10-21","18:00:00",""
"2243551","12.2315","0.0012","4.2432","0.0007","6.3039","0.0001","90","","96.727","0.007","90","","324.92","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Thallium(I) <i>catena</i>-polyphosphate","","- O3 P Tl -","- O3 P Tl -","- O12 P4 Tl4 -","4","1","HB7938","Weil, Matthias","TlPO~3~ and its comparison with isotypic RbPO~3~ and CsPO~3~","Acta Crystallographica Section E","2020","76","9","1482","1485","10.1107/S2056989020011238","","","0.71073","MoKα","","0.0422","0.0273","","","0.0514","0.054","","","","","","0.992","","","","has coordinates,has Fobs","255590","2020-10-21","18:00:00",""
"2243552","7.2986","0.0001","5.8504","0.0001","29.7783","0.0005","90","","94.525","0.001","90","","1267.56","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3'-Cyano-4-methylchalcone","2-[3-(4-Methylphenyl)prop-2-enoyl]benzonitrile","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","TX2030","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structure and Hirshfeld analysis of 3'-bromo-4-methylchalcone and 3'-cyano-4-methylchalcone","Acta Crystallographica Section E","2020","76","9","1496","1502","10.1107/S2056989020011135","","x-ray","1.54178","CuKα","","0.0371","0.0327","","","0.0842","0.0874","","","","","","1.032","","","","has coordinates,has Fobs","255656","2020-10-21","18:00:00",""
"2243553","5.9282","0.0006","7.3614","0.0008","14.6747","0.0016","88.532","0.003","82.199","0.003","87.457","0.003","633.73","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3'-Bromo-4-methylchalcone","1-(2-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one","","- C16 H13 Br O -","- C16 H13 Br O -","- C32 H26 Br2 O2 -","2","1","","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structure and Hirshfeld analysis of 3'-bromo-4-methylchalcone and 3'-cyano-4-methylchalcone","Acta Crystallographica Section E","2020","76","9","1496","1502","10.1107/S2056989020011135","","x-ray","1.54178","CuKα","","0.0256","0.0255","","","0.065","0.0651","","","","","","1.094","","","","has coordinates,has Fobs","255656","2020-10-21","18:00:00",""
"2243554","11.8151","0.0005","12.6367","0.0006","6.4056","0.0003","90","","113.431","0.002","90","","877.52","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver zinc iron phosphate (1.64/1.64/1.36/3)","","- Ag1.64 Fe1.36 O12 P3 Zn1.64 -","- Ag1.64 Fe1.36 O12 P3 Zn1.64 -","- Ag6.56 Fe5.44 O48 P12 Zn6.56 -","4","0.5","PK2642","Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Synthesis, crystal structure determination of a novel phosphate Ag~1.64~Zn~1.64~Fe~1.36~(PO~4~)~3~ with an alluaudite-like structure","Acta Crystallographica Section E","2020","76","9","1491","1495","10.1107/S2056989020011408","","","0.71073","MoKα","","0.0387","0.0237","","","0.0414","0.0443","","","","","","1.074","","","","has coordinates,has Fobs","255657","2020-10-21","18:00:00",""
"2243555","9.0732","0.0005","10.746","0.0006","11.5578","0.0006","92.373","0.004","102.383","0.005","112.703","0.005","1005.71","0.11","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","Dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II)","","- C14 H25 Cl2 Cu2 N5 O2 -","- C14 H25 Cl2 Cu2 N5 O2 -","- C28 H50 Cl4 Cu4 N10 O4 -","2","1","ZQ2256","Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Safyanova, Inna S.; Znovjyak, Kateryna; Shova, Sergiu; Safarmamadov, Safarmamad M.","Crystal structure of dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II)","Acta Crystallographica Section E","2020","76","9","1503","1507","10.1107/S2056989020011184","","x-ray","0.71073","MoKα","","0.0328","0.0266","","","0.0586","0.0613","","","","","","1.054","","","","has coordinates,has Fobs","255658","2020-10-21","18:00:00",""
"2243556","7.0614","0.0004","11.0738","0.0006","17.6541","0.001","90","","90","","90","","1380.49","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Aqua-κ<i>O</i>)(methanol-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)threoninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C12 H17 Cu N O6 -","- C12 H17 Cu N O6 -","- C48 H68 Cu4 N4 O24 -","4","1","","Katsuumi, Natsuki; Onami, Yuika; Pradhan, Sayantan; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (aqua-κ<i>O</i>)(methanol-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)threoninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","Acta Crystallographica Section E","2020","76","9","1539","1542","10.1107/S2056989020011706","","","0.71073","MoKα","","0.0843","0.0281","","","0.0643","0.0965","","","","","","1.325","","","","has coordinates,has Fobs","255740","2020-10-21","18:00:00",""
"2243557","7.1048","0.0004","5.3003","0.0003","11.9035","0.0007","90","","111.225","0.005","90","","417.85","0.04","240","2","240","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Sodium propionate","Poly[(μ~5~-propanoato)sodium(I)]","","- C3 H5 Na O2 -","- C3 H5 Na O2 -","- C12 H20 Na4 O8 -","4","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","1.54178","CuKα","","0.0594","0.0504","","","0.1341","0.1364","","","","4.13","4.13","3.6","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243558","3.907","0.0017","5.7872","0.0017","11.317","0.005","90","","94.03","0.02","90","","255.25","0.18","240","2","240","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Potassium propionate","Poly[(μ~5~-propanoato)potassium(I)]","","- C3 H5 K O2 -","- C3 H5 K O2 -","- C6 H10 K2 O4 -","2","0.5","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0656","0.0505","","","0.0852","0.0872","","","","2.24","2.24","2.07","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243559","4.1538","0.0013","6.0008","0.0016","11.182","0.003","80.038","0.01","81.465","0.01","88.987","0.01","271.47","0.13","240","","240","2","","","","","","","","4","P -1","-P 1","2","Rubidium propionate","Poly[(μ~5~-propanoato)rubidium(I)]","","- C3 H5 O2 Rb -","- C3 H5 O2 Rb -","- C6 H10 O4 Rb2 -","2","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0878","0.0467","","","0.0871","0.095","","","","1.61","1.61","1.36","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243560","4.4242","0.0001","6.2866","0.0002","21.4422","0.0008","90","","90","","90","","596.38","0.03","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Caesium propionate","Poly[(μ~5~-propanoato)caesium(I)]","","- C3 H5 Cs O2 -","- C3 H5 Cs O2 -","- C12 H20 Cs4 O8 -","4","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0296","0.0271","","","0.0675","0.0685","","","","1.65","1.65","1.63","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243561","9.6333","0.0019","12.77","0.003","17.956","0.004","73.82","0.03","83.55","0.03","88.86","0.03","2107.8","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Di-μ-oxido-bis{2,6-bis[(dimethylamino)methyl]phenyl-κ<i>C</i>^1^}tellurium(IV) bis[trichlorido(dimethyl sulfoxide-κ<i>S</i>)platinate(II)]","","- C28 H50 Cl6 N4 O4 Pd2 S2 Te2 -","- C28 H50 Cl6 N4 O4 Pd2 S2 Te2 -","- C56 H100 Cl12 N8 O8 Pd4 S4 Te4 -","2","1","HB7941","Gupta, Anand; Deka, Rajesh; Butcher, Ray J.; Singh, Harkesh B.","Structure of a diorganotelluroxonium(IV) cation, {[2,6-(CH~2~NMe~2~)~2~C~6~H~3~Te(μ-O)]~2~}^2+^, with the trichlorido(dimethyl sulfoxide)platinum(II) anion","Acta Crystallographica Section E","2020","76","9","1520","1524","10.1107/S2056989020011482","","","0.71073","MoKα","","0.0264","0.0222","","","0.0506","0.0516","","","","","","0.987","","","","has coordinates,has Fobs","255742","2020-10-21","18:00:00",""
"2243562","7.9047","0.0019","12.138","0.002","13.959","0.003","90","","94.67","0.008","90","","1334.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Aminopyridinium thiocyanate‒4-aminopyridine (1/1)","","- C11 H13 N5 S -","- C11 H13 N5 S -","- C44 H52 N20 S4 -","4","1","YK2137","Renugadevi, M.; Sinthiya, A.; Poomani, Kumaradhas; Suresh, Suganya","Crystal structure and Hirshfeld surface analysis of 4-aminopyridinium thiocyanate‒4-aminopyridine (1/1)","Acta Crystallographica Section E","2020","76","9","1535","1538","10.1107/S2056989020011445","","","0.71075","MoKα","","0.0671","0.0529","","","0.1387","0.1483","","","","","","1.031","","","","has coordinates,has Fobs","255743","2020-10-21","18:00:00",""
"2243563","7.9801","0.0004","12.2381","0.0005","13.3712","0.0007","90","","90.134","0.002","90","","1305.84","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(4,5-dihydrofuran-2-yl)methylsilane","","- C13 H18 O3 Si -","- C13 H18 O3 Si -","- C52 H72 O12 Si4 -","4","1","WM5561","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0416","0.0346","","","0.0961","0.1011","","","","","","1.058","","","","has coordinates,has Fobs","255744","2020-10-21","18:00:00",""
"2243564","7.9801","0.0004","12.2381","0.0005","13.3712","0.0007","90","","90.134","0.002","90","","1305.84","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","b1135HAR","","","- C13 H18 O3 Si -","- C13 H18 O3 Si -","- C52 H72 O12 Si4 -","4","1","","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0234","0.0234","","0.0171","0.0171","0.0171","","","","","","1.9368","","","","has coordinates,has disorder,has Fobs","255744","2020-10-21","18:00:00",""
"2243565","9.4936","0.0006","8.6802","0.0007","19.747","0.002","90","","99.743","0.004","90","","1603.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(4,5-dihydrofuran-2-yl)phenylsilane","","- C18 H20 O3 Si -","- C18 H20 O3 Si -","- C72 H80 O12 Si4 -","4","1","","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0406","0.037","","","0.1019","0.105","","","","","","1.058","","","","has coordinates,has Fobs","255744","2020-10-21","18:00:00",""
"2243566","9.4936","0.0006","8.6802","0.0007","19.747","0.002","90","","99.743","0.004","90","","1603.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","B1807HAR","","","- C18 H20 O3 Si -","- C18 H20 O3 Si -","- C72 H80 O12 Si4 -","4","1","","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0238","0.0238","","0.0208","0.0208","0.0208","","","","","","2.0711","","","","has coordinates,has disorder,has Fobs","255744","2020-10-21","18:00:00",""
"2243567","9.9759","0.0002","10.6052","0.0002","22.8535","0.0004","90","","90","","90","","2417.82","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol bis[(<i>S</i>)-pyrrolidin-1-ium-2-carboxylate] monohydrate","","- C24 H32 N2 O9 -","- C24 H32 N2 O9 -","- C96 H128 N8 O36 -","4","1","HB7935","Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon","Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline","Acta Crystallographica Section E","2020","76","9","1528","1534","10.1107/S2056989020011536","","","0.71073","MoKα","","0.0459","0.0439","","","0.1149","0.1167","","","","","","1.049","","","","has coordinates,has Fobs","255745","2020-10-21","18:00:00",""
"2243568","9.8293","0.0002","10.4915","0.0002","22.9863","0.0006","90","","90","","90","","2370.44","0.09","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol bis[(<i>S</i>)-pyrrolidin-1-ium-2-carboxylate]","","- C24 H30 N2 O8 -","- C24 H30 N2 O8 -","- C96 H120 N8 O32 -","4","1","HB7935","Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon","Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline","Acta Crystallographica Section E","2020","76","9","1528","1534","10.1107/S2056989020011536","","","0.71073","MoKα","","0.0473","0.0469","","","0.1332","0.1338","","","","","","1.088","","","","has coordinates,has Fobs","255745","2020-10-21","18:00:00",""
"2243569","11.985","0.0003","11.985","0.0003","52.4508","0.0014","90","","90","","90","","7534","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate","Bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.0^2,11^.0^3,8^.0^18,23^]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate","","- C86 H60 Cl6 Fe O8 P4 -","- C86 H60 Cl6 Fe O8 P4 -","- C344 H240 Cl24 Fe4 O32 P16 -","4","0.5","HB7939","Rennie, Benjamin E.; Lough, Alan J.; Morris, Robert H.","Crystal structure of bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate","Acta Crystallographica Section E","2020","76","9","1525","1527","10.1107/S2056989020011160","","","1.54178","CuKα","","0.0494","0.0425","","","0.105","0.1098","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255746","2020-10-21","18:00:00",""
"2243570","7.3925","0.0003","15.4082","0.0006","23.575","0.0009","90","","90","","90","","2685.31","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","ZL2794","Cinar, Emine Berrin; Faizi, Md. Serajul Haque; Yagci, Nermin Kahveci; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2020","76","10","1551","1556","10.1107/S2056989020011652","","","0.71073","MoKα","","0.0781","0.0427","","","0.1114","0.1248","","","","","","1.035","","","","has coordinates,has Fobs","255918","2020-10-21","18:00:00",""
"2243571","8.173","0.0004","11.8143","0.0009","13.1721","0.0008","90","","90","","90","","1271.88","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[(2-Iodophenyl)imino]methyl}-6-methylphenol","","- C14 H12 I N O -","- C14 H12 I N O -","- C56 H48 I4 N4 O4 -","4","1","ZL2795","Kansiz, Sevgi; Agar, Tuggan; Dege, Necmi; Dogan, Onur Erman; Ahmed, Ruby; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-{[(2-iodophenyl)imino]methyl}-6-methylphenol","Acta Crystallographica Section E","2020","76","10","1595","1598","10.1107/S2056989020011974","","","0.71073","MoKα","","0.0444","0.0312","","","0.0598","0.0628","","","","","","0.92","","","","has coordinates,has Fobs","255919","2020-10-21","18:00:00",""
"2243572","5.7905","0.0003","9.7461","0.0005","10.172","0.0004","82.064","0.003","84.754","0.004","77.739","0.004","554.44","0.05","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","1,1'-Bis{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]methyl}ferrocene","","- C26 H22 Fe N8 -","- C26 H22 Fe N8 -","- C26 H22 Fe N8 -","1","0.5","PK2645","Pokharel, Uttam R.; Naquin, Aaron P.; Brochon, Connor P.; Fronczek, Frank R.","Synthesis and crystal structure of 1,1'-bis{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]methyl}ferrocene, and its complexation with Cu^I^","Acta Crystallographica Section E","2020","76","10","1582","1586","10.1107/S2056989020011901","","","0.71073","MoKα","","0.0529","0.0407","","","0.093","0.0989","","","","","","1.062","","","","has coordinates,has Fobs","255920","2020-10-21","18:00:00",""
"2243573","17.251","0.001","5.6849","0.0003","17.3101","0.0011","90","","116.958","0.004","90","","1513.14","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(4-Propyloxybenzylidene)benzo[<i>d</i>]thiazol-2-amine","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","WM5582","Sheakh Mohamad, Ropak A.; Hamad, Wali M.; Aziz, Hashim J.; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>-(4-propyloxybenzylidene)benzo[<i>d</i>]thiazol-2-amine","Acta Crystallographica Section E","2020","76","10","1591","1594","10.1107/S2056989020012128","","","0.71073","MoKα","","0.0805","0.0453","","","0.0882","0.099","","","","","","0.98","","","","has coordinates,has Fobs","255921","2020-10-21","18:00:00",""
"2243574","14.7856","0.0008","15.9841","0.0009","10.3188","0.0006","90","","99.21","0.004","90","","2407.2","0.2","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3'-nitrochalcone","1-(3-Nitrophenyl)-3-phenylprop-2-en-1-one","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","2","DX2030","Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.","Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone","Acta Crystallographica Section E","2020","76","10","1599","1604","10.1107/S2056989020011858","","","0.71073","MoKα","","0.1002","0.0493","","","0.1136","0.1411","","","","","","0.991","","","","has coordinates,has Fobs","255922","2020-10-21","18:00:00",""
"2243575","17.3171","0.0007","7.0708","0.0003","11.3487","0.0004","90","","90.761","0.003","90","","1389.48","0.1","100","","100.04","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4'-Dimethylamino,3-nitrochalcone","1-[4-(Dimethylamino)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","DX2030","Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.","Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone","Acta Crystallographica Section E","2020","76","10","1599","1604","10.1107/S2056989020011858","","","0.71073","MoKα","","0.0593","0.0428","","","0.1127","0.1228","","","","","","1.039","","","","has coordinates,has Fobs","255922","2020-10-21","18:00:00",""
"2243576","7.7552","0.0004","15.6998","0.0007","12.0525","0.0007","90","","100.668","0.003","90","","1442.09","0.13","200","","200.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3'-Nitro,4-dimethylaminochalcone","3-[3-(Dimethylamino)phenyl]-1-(3-nitrophenyl)prop-2-en-1-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","DX2030","Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.","Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone","Acta Crystallographica Section E","2020","76","10","1599","1604","10.1107/S2056989020011858","","","0.71073","MoKα","","0.0981","0.0493","","","0.1112","0.1325","","","","","","1.018","","","","has coordinates,has Fobs","255922","2020-10-21","18:00:00",""
"2243577","9.5632","0.0001","17.8067","0.0003","16.1958","0.0003","90","","103.463","0.001","90","","2682.18","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-Benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one","","- C34 H30 N2 O3 -","- C34 H30 N2 O3 -","- C136 H120 N8 O12 -","4","1","TX2027","Selvaraj, Janet Priyavathani; Mary, Stella; Dhruba, Jyoti Boruah; Huidrom, Birkumar Singh; Panneerselvam, Yuvaraj; Piskala Subburaman, Kannan","Crystal structure of (1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one","Acta Crystallographica Section E","2020","76","10","1548","1550","10.1107/S2056989020010300","","","0.71073","MoKα","","0.0714","0.0527","","","0.1275","0.1443","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","255923","2020-10-21","18:00:00",""
"2243578","10.7318","0.0004","17.4541","0.0004","15.0082","0.0004","90","","92.055","0.001","90","","2809.44","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Triethylammonium hexabromidouranate(IV) dichloromethane monosolvate","","- C13 H34 Br6 Cl2 N2 U -","- C13 H34 Br6 Cl2 N2 U -","- C52 H136 Br24 Cl8 N8 U4 -","4","1","ZL2792","Deubner, Holger Lars; Koester, Marcel; von Haenisch, Carsten; Kraus, Florian","Synthesis and crystal structure of triethylammonium hexabromidouranate(IV) dichloromethane monosolvate","Acta Crystallographica Section E","2020","76","10","1587","1590","10.1107/S205698902001169X","","","0.71073","MoKα","","0.0302","0.0246","","","0.0573","0.0594","","","","","","1.044","","","","has coordinates","255924","2020-10-21","18:00:00",""
"2243579","13.307","0.0006","9.1782","0.0004","32.2298","0.0016","90","","100.251","0.002","90","","3873.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-{(1<i>E</i>,1'<i>E</i>)-[4,4'-(9<i>H</i>-Fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate","","- C53 H36 Cl2 N2 O2 -","- C53 H36 Cl2 N2 O2 -","- C212 H144 Cl8 N8 O8 -","4","1","","Wodajo, Ayalew; Tskhovrebov, Alexander G.; Le, Tuan Anh; Kubasov, Alexey S.; Grishina, Maria M.; Krutius, Oleg N.; Khrustalev, Victor N.","Crystal structure of 1,1'-{(1<i>E</i>,1'<i>E</i>)-[4,4'-(9<i>H</i>-fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate","Acta Crystallographica Section E","2020","76","10","1579","1581","10.1107/S2056989020012104","","","0.71073","MoKα","","0.0759","0.0526","","","0.1292","0.1397","","","","","","1.031","","","","has coordinates,has Fobs","255925","2020-10-21","18:00:00",""
"2243580","7.2407","0.001","11.8145","0.0003","13.062","0.002","90","","98.334","0.007","90","","1105.6","0.2","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dipotassium rubidium citrate monohydrate","Dipotassium rubidium citrate monohydrate","","- C6 H7 K2.108 O8 Rb0.892 -","- C6 H7 K2.107 O8 Rb0.893 -","- C24 H28 K8.428 O32 Rb3.572 -","4","1","HB7917","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","powder diffraction","x-ray","0.70932","Kα~1,2~","","","","","","0.03327","","","","1.884","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243581","7.2407","","11.8185","","13.0617","","90","","98.334","","90","","1105.94","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K2 O8 Rb -","- C6 H7 K2 O8 Rb -","- C24 H28 K8 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243582","7.2407","","11.81851","","13.06177","","90","","98.334","","90","","1105.95","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K2 O8 Rb -","- C6 H7 K2 O8 Rb -","- C24 H28 K8 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243583","7.2407","","11.81851","","13.06177","","90","","98.334","","90","","1105.95","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K2 O8 Rb -","- C6 H7 K2 O8 Rb -","- C24 H28 K8 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243584","7.3507","0.0005","11.8468","0.0004","13.2275","0.0012","90","","98.109","0.004","90","","1140.36","0.14","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","potassium dirubidium citrate monohydrate","Potassium dirubidium citrate monohydrate","","- C6 H7 K1.37 O8 Rb1.63 -","- C6 H7 K1.371 O8 Rb1.629 -","- C24 H28 K5.484 O32 Rb6.516 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","powder diffraction","x-ray","0.70932","Kα~1,2~","","","","","","0.03232","","","","1.851","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243585","7.350692","","11.846841","","13.227547","","90","","98.1091","","90","","1140.37","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K O8 Rb2 -","- C6 H7 K O8 Rb2 -","- C24 H28 K4 O32 Rb8 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243586","7.350692","","11.846841","","13.227549","","90","","98.1091","","90","","1140.37","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K O8 Rb2 -","- C6 H7 K O8 Rb2 -","- C24 H28 K4 O32 Rb8 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243587","7.350692","","11.846841","","13.227549","","90","","98.1091","","90","","1140.37","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K O8 Rb2 -","- C6 H7 K O8 Rb2 -","- C24 H28 K4 O32 Rb8 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243588","19.9042","0.001","6.6243","0.0004","10.5636","0.0007","90","","90.819","0.004","90","","1392.68","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C4 H4 Cl2 N2 O3 -","- C4 H4 Cl2 N2 O3 -","- C32 H32 Cl16 N16 O24 -","8","1","ZQ2257","Novikov, Anton P.; Ryagin, Sergey N.; Grigoriev, Mikhail S.; Safonov, Alexey V.; German, Konstantin E.","5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione: molecular and crystal structure, Hirshfeld surface analysis and the new route for synthesis with Mg(ReO~4~)~2~ as a new catalyst","Acta Crystallographica Section E","2020","76","10","1557","1561","10.1107/S2056989020011809","","","0.71073","MoKα","","0.0711","0.0419","","","0.0919","0.1029","","","","","","1.02","","","","has coordinates,has Fobs","255927","2020-10-21","18:00:00",""
"2243589","29.3802","0.0019","10.8106","0.0007","13.6002","0.0009","90","","91.214","0.003","90","","4318.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[η^5^-(<i>tert</i>-butoxycarbonyl)cyclopentadienyl]dichloridotitanium(IV)","","- C20 H26 Cl2 O4 Ti -","- C20 H26 Cl2 O4 Ti -","- C160 H208 Cl16 O32 Ti8 -","8","1","PK2643","McCarthy, Jackson S.; McMillen, Colin D.; Pienkos, Jared A.; Wagenknecht, Paul S.","Synthesis and characterization of a <i>tert-</i>butyl ester-substituted titanocene dichloride: ^<i>t^-BuOOC</i>Cp~2~TiCl~2~","Acta Crystallographica Section E","2020","76","10","1562","1565","10.1107/S2056989020011834","","","0.71073","MoKα","","0.072","0.0482","","","0.0869","0.1059","","","","","","1.163","","","","has coordinates,has Fobs","255928","2020-10-21","18:00:00",""
"2243590","7.1512","0.0003","7.1512","0.0003","6.3639","0.0003","90","","90","","120","","281.85","0.02","100.01","","100.01","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium(I) iodide oxide","","- I O Tl3 -","- I O Tl3 -","- I2 O2 Tl6 -","2","0.0833333","PK2648","Albrecht, Ralf; Menning, Heinrich; Doert, Thomas; Ruck, Michael","Hydroflux synthesis and crystal structure of Tl~3~IO","Acta Crystallographica Section E","2020","76","10","1638","1640","10.1107/S2056989020012359","","","0.71073","MoKα","","0.0216","0.0176","","","0.0403","0.0413","","","","","","1.29","","","","has coordinates,has Fobs","256383","2020-10-21","18:00:00",""
"2243591","4.6928","0.0006","9.3881","0.0013","22.918","0.003","90","","91.646","0.003","90","","1009.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Melaminium cyanoacetate monohydrate","2,4,6-Triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate","","- C6 H11 N7 O3 -","- C6 H11 N7 O3 -","- C24 H44 N28 O12 -","4","1","","Sigdel Regmi, Bhawani; Apblett, Allen; Powell, Douglas","Crystal structure of melaminium cyanoacetate monohydrate","Acta Crystallographica Section E","2020","76","10","1645","1648","10.1107/S2056989020012335","","","0.71073","MoKα","","0.0735","0.0472","","","0.1123","0.1258","","","","","","1.004","","","","has coordinates,has Fobs","256384","2020-10-21","18:00:00",""
"2243592","14.493","0.0007","8.8855","0.0003","26.6017","0.0011","90","","103.998","0.005","90","","3324","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}-1:2κ^4^<i>O</i>,<i>O</i>',\ <i>O</i>'':<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>,<i>O</i>',<i>O</i>''-\ bis(μ-3,5-dimethylpyrazolato)-1:2κ^2^<i>N</i>^1^:<i>N</i>^2^;\ 2:3<i>N</i>^1^:<i>N</i>^2^-tricopper(II) dibromide sesquihydrate","","- C22 H45 Br2 Cu3 N6 O7.5 -","- C22 H45 Br2 Cu3 N6 O7.5 -","- C88 H180 Br8 Cu12 N24 O30 -","4","0.5","DJ2014","Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Naumova, Dina D.; Partsevska, Sofiia V.; Shova, Sergiu; Safarmamadov, Safarmamad M.","Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate","Acta Crystallographica Section E","2020","76","10","1641","1644","10.1107/S2056989020012323","","x-ray","0.71073","MoKα","","0.0513","0.0392","","","0.0976","0.1046","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","256385","2020-10-21","18:00:00",""
"2243593","10.12201","0.00005","10.12201","0.00005","10.12201","0.00005","90","","90","","90","","1037.05","0.009","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Hf1.5 K2 Ni0.5 O12 P3 -","- Hf1.5 K2 Ni0.5 O12 P3 -","- Hf6 K8 Ni2 O48 P12 -","4","0.333333","WM5581","Zhou, Liang; Butenko, Denys S.; Ogorodnyk, Ivan V.; Klyui, Nickolai I.; Zatovsky, Igor V.","Rietveld refinement of the langbeinite-type phosphate K~2~Ni~0.5~Hf~1.5~(PO~4~)~3~","Acta Crystallographica Section E","2020","76","10","1634","1637","10.1107/S2056989020012062","powder diffraction","","1.54187","CuKα","","3.21","","","","","","","","2.1","","","","","","","has coordinates,has Fobs","256386","2020-10-21","18:00:00",""
"2243594","7.4102","0.0006","24.629","0.002","18.446","0.001","90","","98.478","0.006","90","","3329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Clozapinium hydrogen bis(3,5-dinitrobenzoate)","4-[6-Chloro-2,9-diazatricyclo[9.4.0.0^3,8^]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl]-1-methylpiperazin-1-ium 3,5-dinitrobenzoate‒3,5-dinitrobenzic acid (1/1)","","- C32 H27 Cl N8 O12 -","- C32 H27 Cl N8 O12 -","- C128 H108 Cl4 N32 O48 -","4","1","HB7944","Shaibah, Mohammed A. E.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","A very short O—H···O hydrogen bond in the structure of clozapinium hydrogen bis(3,5-dinitrobenzoate)","Acta Crystallographica Section E","2020","76","10","1629","1633","10.1107/S2056989020012268","","","0.71073","MoKα","","0.1266","0.062","","","0.1141","0.1326","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","256387","2020-10-21","18:00:00",""
"2243595","10.0952","0.0004","13.0135","0.0006","13.5643","0.0005","74.429","0.005","75.671","0.005","78.309","0.006","1645.39","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","Tris[4-(naphthalen-1-yl)phenyl]amine","","- C48 H33 N -","- C48 H33 N -","- C96 H66 N2 -","2","1","IS5556","Yano, Masafumi; Kashiwagi, Yukiyasu; Inada, Yoshinori; Hayashi, Yuki; Mitsudo, Koichi; Kubono, Koji","Crystal structure of tris[4-(naphthalen-1-yl)phenyl]amine","Acta Crystallographica Section E","2020","76","10","1649","1652","10.1107/S2056989020012529","","","0.71075","MoKα","","0.0776","0.0531","","","0.1129","0.1233","","","","","","1.038","","","","has coordinates,has Fobs","256558","2020-10-21","18:00:00",""
"2243596","11.153","0.003","6.8926","0.0015","14.6","0.003","90","","97.528","0.005","90","","1112.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 5-chloro-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","","- C10 H8 Cl N O5 S -","- C10 H8 Cl N O5 S -","- C40 H32 Cl4 N4 O20 S4 -","4","1","PK2647","Shishkina, Svitlana V.; Petrushova, Lidiya A.; Burian, Kateryna O.; Fedosov, Andrii I.; Ukrainets, Igor V.","Methyl 5-chloro-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate: structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","10","1657","1660","10.1107/S2056989020012566","","","0.71073","MoKα","","0.1014","0.063","","","0.1323","0.1451","","","","","","1.053","","","","has coordinates,has Fobs","256559","2020-10-21","18:00:00",""
"2243597","5.7615","0.0004","9.7752","0.0008","10.6833","0.0009","90","","101.255","0.008","90","","590.11","0.08","190","2","190","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","6-Azido-6-deoxy-1,2-<i>O</i>-isopropylidene-α-<i>D</i>-glucofuranose","","- C9 H15 N3 O5 -","- C9 H15 N3 O5 -","- C18 H30 N6 O10 -","2","1","HB7940","Wood, Adam; Bernhardt, Paul V.; van Altena, Ian; Simone, Michela I.","Crystal structure of 6-azido-6-deoxy-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranose","Acta Crystallographica Section E","2020","76","10","1653","1656","10.1107/S2056989020012438","","x-ray","1.54184","CuKα","","0.0384","0.0361","","","0.0847","0.0864","","","","","","1.082","","","","has coordinates,has Fobs","256560","2020-10-21","18:00:00",""
"2243598","11.919","0.0005","4.5454","0.0002","24.3172","0.0009","90","","97.517","0.001","90","","1306.1","0.09","240","","240","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","potassium isobutyrate monohydrate","Poly[μ-aqua-bis(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i),<i>O</i>':<i>O</i>')dipotassium]","","- C8 H16 K2 O5 -","- C8 H16 K2 O5 -","- C32 H64 K8 O20 -","4","0.5","DJ2009","Fábry, Jan; Samolová, Erika","Crystal structure of poly[μ-aqua-bis(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')dipotassium]","Acta Crystallographica Section E","2020","76","10","1669","1674","10.1107/S2056989020012591","","x-ray","1.54178","CuKα","","0.0295","0.0284","","","0.0812","0.082","","","","2.52","2.52","2.48","","","","has coordinates,has Fobs","256648","2020-10-21","18:00:00",""
"2243599","8.9656","0.0005","12.506","0.0006","14.2311","0.0007","67.552","0.005","85.106","0.004","84.087","0.004","1465.06","0.14","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","{<i>N</i>^1^,<i>N</i>^3^-Bis[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κ<i>N</i>)iron(II)","","- C27 H28 Fe N10 S2 -","- C27 H28 Fe N10 S2 -","- C54 H56 Fe2 N20 S4 -","2","1","WM5580","Znovjyak, Kateryna; Seredyuk, Maksym; Malinkin, Sergey O.; Shova, Sergiu; Soliev, Lutfullo","Crystal structure of {<i>N</i>^1^,<i>N</i>^3^-bis[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2020","76","10","1661","1664","10.1107/S2056989020012608","","x-ray","0.71073","MoKα","","0.0461","0.0373","","","0.0774","0.0818","","","","","","1.034","","","","has coordinates,has Fobs","256651","2020-10-21","18:00:00",""
"2243600","6.6662","0.0002","19.5903","0.0007","23.4286","0.0008","90","","90","","90","","3059.61","0.18","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","calcium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate]","","- C8 H24 Ca O9 -","- C8 H24 Ca O9 -","- C64 H192 Ca8 O72 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0498","0.0389","","","0.078","0.0807","","","","2.11","2.11","1.99","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243601","6.8801","0.0003","19.752","0.0011","23.2734","0.0013","90","","90","","90","","3162.8","0.3","120","","120","","","","","","","","","4","C m c e","-C 2ac 2","64","strontium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate]","","- C8 H24 O9 Sr -","- C8 H24 O9 Sr -","- C64 H192 O72 Sr8 -","8","0.5","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0254","0.021","","","0.0543","0.0552","","","","1.87","1.87","1.79","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243602","6.7153","0.0003","19.6061","0.001","23.3498","0.0011","90","","90","","90","","3074.3","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","calcium strontium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","","- C8 H24 Ca0.794 O9 Sr0.206 -","- C8 H24 Ca0.7936 O9 Sr0.2064 -","- C64 H192 Ca6.3488 O72 Sr1.6512 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0373","0.0258","","","0.059","0.0615","","","","1.68","1.68","1.54","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243603","27.505","0.003","12.3814","0.0012","14.6346","0.0014","90","","99.999","0.003","90","","4908.1","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","Dimethyl 2,2'-[((2<i>S</i>,2'<i>S</i>)-2,2'-{[(2<i>S</i>,2'<i>S</i>)-1,1'-(6,6'-dimethyl-[1,1'-biphenyl]-2,2'-dicarbonyl)bis(pyrrolidine-1,2-diyl-2-carbonyl)]bis(azanediyl)}bis(3-phenylpropanoyl))bis(azanediyl)](2<i>S</i>,2'<i>S</i>)-dipropionate","","- C52 H60.5 N6 O10.25 -","- C52 H60.5 N6 O10.25 -","- C208 H242 N24 O41 -","4","1","VM2240","Nguyen, Xuan Tu; Le, Thuy Quynh; Bui Thi, Tra My; Mac, Dinh Hung; Bui, Thai Thanh Thu","Synthesis and crystal structure of peptide dimethyl biphenyl hybrid C~52~H~60~N~6~O~10~·0.25H~2~O","Acta Crystallographica Section E","2020","76","10","1675","1678","10.1107/S2056989020012931","","","0.71073","MoKα","","0.052","0.0381","","","0.0807","0.0862","","","","","","1.064","","","","has coordinates,has disorder","256796","2020-10-21","18:00:00",""
"2243604","13.2239","0.0007","15.3576","0.0008","17.1061","0.0008","90","","107.029","0.0017","90","","3321.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{1-[(3,5-Bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol monohydrate","","- C35 H53 N5 O2 -","- C35 H53 N5 O2 -","- C140 H212 N20 O8 -","4","1","IS5557","Stapf, Manuel; Seichter, Wilhelm; Mazik, Monika","Crystal structures of monohydrate and methanol solvate compounds of {1-[(3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol","Acta Crystallographica Section E","2020","76","10","1679","1683","10.1107/S2056989020012554","","","0.71073","MoKα","","0.0614","0.0431","","","0.1045","0.1136","","","","","","1.025","","","","has coordinates,has Fobs","256797","2020-10-21","18:00:00",""
"2243605","12.1169","0.0004","13.238","0.0005","13.6258","0.0005","68.373","0.002","79.379","0.002","67.392","0.002","1873.32","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","{1-[(3,5-Bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol methanol monosolvate","","- C36 H55 N5 O2 -","- C36 H55 N5 O2 -","- C72 H110 N10 O4 -","2","1","IS5557","Stapf, Manuel; Seichter, Wilhelm; Mazik, Monika","Crystal structures of monohydrate and methanol solvate compounds of {1-[(3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol","Acta Crystallographica Section E","2020","76","10","1679","1683","10.1107/S2056989020012554","","","0.71073","MoKα","","0.1358","0.0649","","","0.1447","0.1841","","","","","","1.205","","","","has coordinates,has disorder,has Fobs","256797","2020-10-21","18:00:00",""
"2243614","8.4326","0.0006","31.778","0.002","8.468","0.0006","90","","110.052","0.002","90","","2131.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[(4-Methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C20 H25 Br N4 O S -","- C20 H25 Br N4 O S -","- C80 H100 Br4 N16 O4 S4 -","4","1","JY2001","Duruskari, Gulnara Sh.; Khalilov, Ali N.; Mammadova, Gunay Z.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2020","76","10","1694","1698","10.1107/S2056989020012712","","","0.71073","MoKα","","0.0678","0.0382","","","0.0765","0.087","","","","","","1.028","","","","has coordinates,has Fobs","256881","2020-10-21","18:00:00",""
"2243615","10.3647","0.0007","10.7781","0.0008","11.8303","0.0008","85.318","0.003","86.231","0.003","77.583","0.003","1284.79","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)hexamethanoltetramanganese(III)nickel(II) methanol disolvate monohydrate","","- C40 H56 Mn4 N4 Ni O25 -","- C40 H56 Mn4 N4 Ni O25 -","- C40 H56 Mn4 N4 Ni O25 -","1","0.5","IS5558","Hall, Abigail J.; Zeller, Matthias; Zaleski, Curtis M.","Synthesis and crystal structure of a heterobimetallic nickel‒manganese 12-metallacrown-4 methanol disolvate monohydrate compound","Acta Crystallographica Section E","2020","76","11","1720","1724","10.1107/S205698902001316X","","","0.71073","MoKα","","0.0642","0.0495","","","0.1308","0.1372","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","258223","2020-10-21","18:00:00",""
"2243616","6.0378","0.0005","6.0378","0.0005","9.8133","0.0009","90","","90","","120","","309.82","0.05","301","2","301","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","Barium cerium lutetium aluminosilicate nitride oxide","","- Al0.4 Ba1.8 Ce0.2 Lu2 N13.8 O0.2 Si7.6 -","- Al0.4 Ba1.8 Ce0.2 Lu2 N13.7998 O0.2002 Si7.6 -","- Al0.4 Ba1.8 Ce0.2 Lu2 N13.7998 O0.2002 Si7.6 -","1","0.0833333","RU2072","Simura, Rayko; Yamane, Hisanori","Lu-atom-ordered oxonitridoaluminosilicate Ba~0.9~Ce~0.1~LuAl~0.2~Si~3.8~N~6.9~O~0.1~","Acta Crystallographica Section E","2020","76","11","1708","1711","10.1107/S2056989020013158","","","0.71073","MoKα","","0.0228","0.022","","","0.0539","0.0548","","","","","","1.037","","","","has coordinates,has Fobs","258224","2020-10-21","18:00:00",""
"2243617","13.9881","0.0005","9.822","0.0004","9.7446","0.0004","90","","91.391","0.006","90","","1338.43","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-1κ<i>S</i>:2κ<i>S</i>,2(η^2^)-<i>N</i>-(Prop-2-en-1-yl)piperidine-1-carbothioamide]μ-2κ<i>S</i>,2(η^2^):1κ<i>S</i>-<i>N</i>-(prop-2-en-1-yl)piperidine-1-carbothioamide]bis[(thiocyanato-κ<i>N</i>)copper(I)]","","- C20 H32 Cu2 N6 S4 -","- C20 H32 Cu2 N6 S4 -","- C40 H64 Cu4 N12 S8 -","2","0.5","YZ2001","Tanaka, Takeshi; Kashiwagi, Yukiyasu; Nakagawa, Masami","Crystal structure of bis[μ-<i>N</i>-(η^2^-prop-2-en-1-yl)piperidine-1-carbothioamide-κ^2^<i>S</i>:<i>S</i>]bis[(thiocyanato-κ<i>N</i>)copper(I)]","Acta Crystallographica Section E","2020","76","11","1712","1715","10.1107/S2056989020013146","","x-ray","0.71075","MoKα","","0.0583","0.0445","","","0.0931","0.0984","","","","","","1.081","","","","has coordinates,has Fobs","258225","2020-10-21","18:00:00",""
"2243618","7.0228","0.0004","7.0228","0.0004","17.4934","0.0015","90","","90","","120","","747.18","0.09","290","2","290","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium magnesium trichloride","","- Cl3 Mg Tl -","- Cl3 Mg Tl -","- Cl18 Mg6 Tl6 -","6","0.25","HB7945","Onken, Drew R.; Perrodin, Didier; Vogel, Sven C.; Bourret, Edith D.; Moretti, Federico","The crystal structure of TlMgCl~3~ from 290K to 725K","Acta Crystallographica Section E","2020","76","11","1716","1719","10.1107/S2056989020013201","","","0.71073","MoKα","","0.0627","0.0466","","","0.1088","0.1125","","","","","","1.417","","","","has coordinates,has Fobs","258226","2020-10-21","18:00:00",""
"2243619","31.9834","0.0014","27.7358","0.0013","6.661","0.0004","90","","90","","90","","5908.9","0.5","113","2","113","2","","","","","","","","4","F d d 2","F 2 -2d","43","2,6-Bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate","4-[6-(3-Hydroxy-3-methylbut-1-yn-1-yl)pyridin-2-yl]-2-methylbut-3-yn-2-ol monohydrate","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C240 H304 N16 O48 -","16","1","IS5553","Koizumi, Take-aki; Takata, Toshikazu","Crystal structure of 2,6-bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate","Acta Crystallographica Section E","2020","76","11","1737","1740","10.1107/S2056989020013304","","x-ray","1.54184","CuKα","","0.0297","0.0294","","","0.081","0.0815","","","","","","1.037","","","","has coordinates,has Fobs","258297","2020-10-21","18:00:00",""
"2243620","7.0788","0.0005","24.6279","0.0016","10.584","0.0007","90","","91.059","0.001","90","","1844.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diazido[5-ethoxycarbonyl-2-(5-ethoxycarbonylpyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]gold(III)","","- C17 H16 Au N7 O4 -","- C17 H16 Au N7 O4 -","- C68 H64 Au4 N28 O16 -","4","1","YK2139","Levchenko, Volodymyr; Øien-Ødegaard, Sigurd; Wragg, David; Tilset, Mats","Crystal structure of (N^C) cyclometalated Au^III^ diazide at 100K","Acta Crystallographica Section E","2020","76","11","1725","1727","10.1107/S2056989020012955","","x-ray","0.71073","MoKα","","0.0249","0.0175","","","0.0342","0.0361","","","","","","1.093","","","","has coordinates,has Fobs","258298","2020-10-21","18:00:00",""
"2243621","8.79348","0.00019","27.8665","0.0005","10.2288","0.0003","90","","112.393","0.003","90","","2317.49","0.11","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Goniotamirenone C","6-(2-Chloro-1-hydroxy-2-phenylethyl)-2<i>H</i>-pyran-2-one","","- C13 H11 Cl O3 -","- C13 H11 Cl O3 -","- C104 H88 Cl8 O24 -","8","2","VM2241","Meesakul, Pornphimol; Richardson, Christopher; Laphookhieo, Surat; Pyne, Stephen G.","Synthesis and crystal structure of (±)-Goniotamirenone C","Acta Crystallographica Section E","2020","76","11","1728","1731","10.1107/S2056989020013298","","x-ray","0.71073","MoKα","","0.048","0.0395","","","0.0985","0.1025","","","","","","1.084","","","","has coordinates,has disorder","258299","2020-10-21","18:00:00",""
"2243622","9.8065","0.0003","16.6719","0.0004","37.2296","0.0009","90","","95.562","0.003","90","","6058.1","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diammonium bis[tris(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis[tris(oxalato-κ^2^<i>O</i><i>,O</i>')chromate(III)] 6.76-hydrate","","- C24 H57.53 Cr2 N26 Ni2 O42.76 -","- C24 H36 Cr2 N26 Ni2 O42.763 -","- C96 H144 Cr8 N104 Ni8 O171.052 -","4","1","WM5586","Mbiangué, Yves Alain; Bijvédé, Alfred; Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Lecomte, Claude","Crystal structure of diammonium bis[tris(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis[tris(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III)] 6.76-hydrate","Acta Crystallographica Section E","2020","76","11","1732","1736","10.1107/S2056989020013390","","","1.54184","CuKα","","0.0654","0.0596","","","0.1715","0.1778","","","","","","1.057","","","","has coordinates,has Fobs","258300","2020-10-21","18:00:00",""
"2243623","14.894","0.0015","35.155","0.004","5.9513","0.0006","90","","100.987","0.002","90","","3059","0.6","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Bis(3,5-di-<i>p</i>-tolylpyrrol-2-yl)pyridine","2,6-Bis[3,5-bis(4-methylphenyl)pyrrol-2-yl]pyridine","","- C41 H35 N3 -","- C41 H35 N3 -","- C164 H140 N12 -","4","1","ZL2799","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.1194","0.0759","","","0.1635","0.1817","","","","","","1.064","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243624","6.6482","0.0004","27.1709","0.0018","9.1322","0.0006","90","","101.07","0.0012","90","","1618.92","0.18","100","2","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[2,2'-(Pyridin-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]carbonylnickel(II)","Carbonyl{2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C42 H33 N3 Ni O -","- C42 H33 N3 Ni O -","- C84 H66 N6 Ni2 O2 -","2","0.5","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.068","0.0496","","","0.1123","0.1192","","","","","","1.068","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243625","15.9773","0.0006","14.9441","0.0005","14.3238","0.0005","90","","107.814","0.0008","90","","3256.1","0.2","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ammine[2,2'-(pyridine-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]nickel(II)","Ammine{2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C41 H36 N4 Ni -","- C41 H36 N4 Ni -","- C164 H144 N16 Ni4 -","4","1","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.0444","0.0356","","","0.0929","0.0981","","","","","","1.053","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243626","11.2735","0.0016","14.1802","0.0019","14.688","0.002","67.162","0.002","68.881","0.002","80.665","0.002","2017.9","0.5","100","2","99.98","","","","","","","","","4","P -1","-P 1","2","(Acetonitrile-κ<i>N</i>)[2,2'-(pyridine-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]nickel(II)","(Acetonitrile-κ<i>N</i>){2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C49 H50 N4 Ni -","- C49 H50 N4 Ni -","- C98 H100 N8 Ni2 -","2","1","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.0897","0.0679","","","0.1785","0.1927","","","","","","1","","","","has coordinates,has disorder,has Fobs","258301","2020-10-21","18:00:00",""
"2243627","5.0789","0.0004","8.0801","0.0006","20.8682","0.0019","92.481","0.007","91.984","0.007","94.253","0.006","852.62","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","5-Hydroxy-3,6,7,8-tetramethoxyflavone","5-Hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4<i>H</i>-chromen-4-one","","- C19 H18 O7 -","- C19 H18 O7 -","- C38 H36 O14 -","2","1","ZN2001","Aisa, Haji Akber; Izotova, Lidiya; Karimov, Abdurashid; Botirov, Erkin; Mamadrahimov, Azimjon; Ibragimov, Bahtiyar","Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone","Acta Crystallographica Section E","2020","76","11","1748","1751","10.1107/S2056989020013596","","","1.54184","CuKα","","0.0778","0.0562","","","0.1528","0.1738","","","","","","1.033","","","","has coordinates,has Fobs","258362","2020-10-21","18:00:00",""
"2243628","26.3412","0.0008","11.427","0.0003","8.6226","0.0003","90","","90.465","0.003","90","","2595.32","0.14","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Aquadichlorido{1,1'-[(pyridine-2,6-diyl-κ<i>N</i>)bis(methylene)]bis(4-butyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione-κ<i>N</i>^2^)}cobalt(II)","","- C19 H29 Cl2 Co N7 O S2 -","- C19 H29 Cl2 Co N7 O S2 -","- C76 H116 Cl8 Co4 N28 O4 S8 -","4","0.5","JY2002","Miecznikowski, John R.; Jasinski, Jerry P.; Ostrowski, Tyler J.; Landy, Kendra R.; Bonitatibus, Sheila C.; Smolinsky, Allison N.; Bertolotti, Natalia R.","Crystal structure and spectroscopic properties of aquadichlorido{1,1'-[(pyridine-2,6-diyl-κ<i>N</i>)bis(methylene)]bis(4-butyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione-κ<i>N</i>^2^)}cobalt(II)","Acta Crystallographica Section E","2020","76","11","1757","1761","10.1107/S2056989020013547","","","1.54184","CuKα","","0.108","0.0819","","","0.2086","0.235","","","","","","1.066","","","","has coordinates,has Fobs","258449","2020-10-21","18:00:00",""
"2243629","8.9213","0.001","10.0759","0.0012","9.101","0.0011","90","","99.983","0.002","90","","805.7","0.16","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-(Trifluoromethyl)picolinic acid monohydrate","5-(Trifluoromethyl)pyridine-2-carboxylic acid monohydrate","","- C7 H6 F3 N O3 -","- C7 H6 F3 N O3 -","- C28 H24 F12 N4 O12 -","4","1","DJ2015","Ye, Naike; Tanski, Joseph M.","The crystal structure of 5-(trifluoromethyl)picolinic acid monohydrate reveals a water-bridged hydrogen-bonding network","Acta Crystallographica Section E","2020","76","11","1752","1756","10.1107/S2056989020013523","","","0.71073","MoKα","","0.0402","0.0342","","","0.0968","0.1025","","","","","","1.069","","","","has coordinates,has Fobs","258450","2020-10-21","18:00:00",""
"2243640","14.4554","0.0004","8.5865","0.0002","24.8055","0.0008","90","","99.209","0.003","90","","3039.21","0.15","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-picolinecoppercomplex","Dichlorido(methanol-κ<i>O</i>)bis(2-methylpyridine-κ<i>N</i>)copper(II)","","- C13 H18 Cl2 Cu N2 O -","- C13 H18 Cl2 Cu N2 O -","- C104 H144 Cl16 Cu8 N16 O8 -","8","1","YK2140","Reddy, J. Prakasha","Crystal structure and Hirshfeld surface analysis of dichlorido(methanol-κ<i>O</i>)bis(2-methylpyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2020","76","11","1771","1774","10.1107/S2056989020014036","","","0.71073","MoKα","","0.0506","0.0381","","","0.0741","0.0805","","","","","","1.125","","","","has coordinates,has Fobs","258588","2020-10-24","04:09:36",""
"2243641","21.4112","0.0008","11.9708","0.0002","13.7726","0.0004","90","","128.316","0.007","90","","2769.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[gold(I)-μ-1,2-bis(diphenylphosphinothioyl)ethane-κ^2^<i>S</i>:<i>S</i>'] dibromidoaurate(I)]","","- C26 H24 Au2 Br2 P2 S2 -","- C26 H24 Au2 Br2 P2 S2 -","- C104 H96 Au8 Br8 P8 S8 -","4","0.5","EX2037","Taouss, Christina; Calvo, Marina; Jones, Peter G.","Crystal structure of the unusual coordination polymer <i>catena</i>-poly[[gold(I)-μ-1,2-bis(diphenylphosphinothioyl)ethane-κ^2^<i>S</i>:<i>S</i>'] dibromidoaurate(I)]","Acta Crystallographica Section E","2020","76","11","1768","1770","10.1107/S2056989020013675","","","1.54184","CuKα","","0.0235","0.0209","","","0.0518","0.0531","","","","","","1.055","","","","has coordinates,has Fobs","258589","2020-10-24","04:10:08",""
"2243642","7.2948","0.0003","7.1242","0.0003","16.8297","0.0007","90","","97.644","0.003","90","","866.86","0.06","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-{3-[(4-Methoxyphenyl)carbamoyl]phenyl}-3-nitrobenzamide","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C42 H34 N6 O10 -","2","1","DJ2013","Moreno-Fuquen, Rodolfo; Hurtado-Angulo, Mario; Arango-Daraviña, Kevin; Bain, Gavin; Kennedy, Alan R.","Synthesis, crystal structure, Hirshfeld surface analysis, MEP study and molecular docking of <i>N</i>-{3-[(4-methoxyphenyl)carbamoyl]phenyl}-3-nitrobenzamide as a promising inhibitor of hfXa","Acta Crystallographica Section E","2020","76","11","1762","1767","10.1107/S2056989020013730","","","1.54184","CuKα","","0.0508","0.0472","","","0.1213","0.1257","","","","","","1.062","","","","has coordinates,has Fobs","258590","2020-10-24","04:10:31",""
"2243643","7.1046","0.0004","9.1467","0.0004","9.3833","0.0004","100.182","0.002","98.729","0.002","97.444","0.002","585.49","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","Bis{2-[(pyridin-2-yl)amino]pyridinium} tetracyanonickelate(II)","","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","1","0.5","HB7948","Setifi, Zouaoui; Ferjani, Hela; Setifi, Fatima; Ezzine, Safa; Al-Douh, Mohammed Hadi","Synthesis, crystal structure and Hirshfeld surface analysis of bis{2-[(pyridin-2-yl)amino]pyridinium} tetracyanonickelate(II)","Acta Crystallographica Section E","2020","76","11","1794","1798","10.1107/S205698902001419X","","","0.71073","MoKα","","0.0769","0.0475","","","0.1124","0.1342","","","","","","1.074","","","","has coordinates,has Fobs","258662","2020-10-31","05:25:02",""
"2243644","7.401","0.001","7.888","0.001","15.41","0.003","100.28","0.02","94.4","0.01","94.14","0.01","879.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 4-chlorobenzoate","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C36 H42 Cl2 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0971","0.0529","","","0.1115","0.1305","","","","","","1.013","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:43",""
"2243645","7.4313","0.0005","7.9163","0.0005","15.5212","0.0009","101.565","0.005","94.78","0.005","92.691","0.005","889.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 4-bromobenzoate","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C36 H42 Br2 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0559","0.043","","","0.1087","0.1151","","","","","","1.052","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:46",""
"2243646","7.1129","0.0004","11.2722","0.0007","12.5923","0.0008","69.852","0.005","74.681","0.005","79.121","0.005","908.82","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 4-iodobenzoate","","- C18 H21 I N2 O3 -","- C18 H21 I N2 O3 -","- C36 H42 I2 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0347","0.0256","","","0.0609","0.0647","","","","","","1.02","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:49",""
"2243647","19.94","0.001","10.2705","0.0007","9.0148","0.0007","90","","109.663","0.008","90","","1738.5","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-(2-Methoxyphenyl)piperazin-1-ium 2-fluorobenzoate","","- C18 H21 F N2 O3 -","- C18 H21 F N2 O3 -","- C72 H84 F4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0477","0.0364","","","0.0925","0.0996","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:50",""
"2243648","7.9974","0.0008","27.611","0.002","8.5972","0.0009","90","","106.4","0.01","90","","1821.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxyphenyl)piperazin-1-ium 2-chlorobenzoate","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C72 H84 Cl4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.1082","0.067","","","0.1885","0.2161","","","","","","1.031","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243649","6.9824","0.0002","13.2292","0.0004","19.4903","0.0007","90","","90","","90","","1800.35","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Methoxyphenyl)piperazin-1-ium 2-bromobenzoate","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0626","0.0351","","","0.0723","0.0774","","","","","","0.939","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243650","7.0101","0.0004","13.3796","0.0006","19.5524","0.0006","90","","90","","90","","1833.87","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Methoxyphenyl)piperazin-1-ium 2-iodobenzoate","","- C18 H21 I N2 O3 -","- C18 H21 I N2 O3 -","- C72 H84 I4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.046","0.0319","","","0.0656","0.0705","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:50",""
"2243651","7.826","0.001","10.32","0.002","12.055","0.003","78.37","0.02","78.27","0.02","73.83","0.02","904.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 2-methylbenzoate","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0674","0.0418","","","0.1082","0.1193","","","","","","1.062","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243652","14.922","0.001","7.6951","0.0005","15.56","0.001","90","","106.911","0.008","90","","1709.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxyphenyl)piperazin-1-ium 4-aminobenzoate","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0591","0.0389","","","0.1037","0.112","","","","","","1.096","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243653","7.5174","0.0005","7.9761","0.0005","29.86","0.002","90","","97.322","0.006","90","","1775.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxyphenyl)piperazin-1-ium 4-nitrobenzoate","","- C18 H21 N3 O5 -","- C18 H21 N3 O5 -","- C72 H84 N12 O20 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0602","0.0404","","","0.1025","0.1112","","","","","","1.031","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:51",""
"2243654","7.8448","0.0006","11.4635","0.0009","12.0747","0.0009","94.406","0.007","105.075","0.008","93.717","0.007","1041.33","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 3,5-dinitrobenzoate dihydrate","","- C18 H24 N4 O9 -","- C18 H24 N4 O9 -","- C36 H48 N8 O18 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.052","0.0388","","","0.1024","0.1081","","","","","","1.064","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:51",""
"2243655","9.4151","0.0005","9.8721","0.0005","10.9572","0.0005","77.524","0.004","81.36","0.005","81.002","0.005","974.97","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C17 H19 N5 O8 -","- C17 H19 N4.999 O7.998 -","- C34 H38 N9.998 O15.996 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0541","0.0404","","","0.1116","0.1187","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:51",""
"2243656","11.1076","0.0006","11.1164","0.0006","13.7649","0.0007","80.353","0.005","78.353","0.005","74.406","0.005","1591.76","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen maleate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","2","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0746","0.0416","","","0.1095","0.1209","","","","","","1.026","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:51",""
"2243657","7.8546","0.0004","8.9626","0.0006","11.2056","0.0008","79.043","0.005","87.715","0.005","85.84","0.005","772.15","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen fumarate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C30 H40 N4 O10 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0464","0.0356","","","0.0977","0.1045","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:52",""
"2243658","7.479","0.001","7.065","0.001","17.788","0.003","90","","101.58","0.02","90","","920.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 1.698-hydrate","","- C15 H25.4 N2 O8.7 -","- C15 H25.396 N2 O8.698 -","- C30 H50.792 N4 O17.396 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0664","0.0393","","","0.0732","0.081","","","","","","0.967","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:52",""
"2243659","14.273","0.0013","12.7102","0.0012","3.7154","0.0003","90","","90","","90","","674.02","0.1","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","CT2491C; 3-chloro-5-fluorosalicylaldehyde","3-Chloro-5-fluoro-2-hydroxybenzaldehyde","","- C7 H4 Cl F O2 -","- C7 H4 Cl F O2 -","- C28 H16 Cl4 F4 O8 -","4","1","PK2651","Triggs, Christopher T.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 3-chloro-5-fluorosalicylaldehyde","Acta Crystallographica Section E","2020","76","12","1810","1812","10.1107/S2056989020014425","","","0.71073","MoKα","","0.0243","0.0231","","","0.0652","0.066","","","","","","1.068","","","","has coordinates,has Fobs","258721","2020-11-04","05:14:27",""
"2243660","18.623","0.004","4.8255","0.001","23.195","0.005","90","","112.96","0.03","90","","1919.3","0.8","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(2-(4-Bromobenzoyloxy)acetamide) 4-Bromo-benzoic acid carbamoylmethyl ester","2-Amino-2-oxoethyl 4-bromobenzoate","","- C9 H8 Br N O3 -","- C9 H8 Br N O3 -","- C72 H64 Br8 N8 O24 -","8","2","","Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.","Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate","Acta Crystallographica Section E","2020","76","12","1805","1809","10.1107/S2056989020014371","","","1.54184","CuKα","","0.0586","0.0493","","","0.1297","0.1384","","","","","","1.061","","","","has coordinates,has Fobs","258722","2020-11-04","05:15:32",""
"2243661","7.1238","0.0014","7.3683","0.0015","10.063","0.002","107.82","0.03","94.95","0.03","96.32","0.03","495.8","0.2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","2-(4-Bitrobenzoyloxy)acetamide 4-Nitro-benzoic acid carbamoylmethyl ester","2-Amino-2-oxoethyl 4-nitrobenzoate","","- C9 H8 N2 O5 -","- C9 H8 N2 O5 -","- C18 H16 N4 O10 -","2","1","","Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.","Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate","Acta Crystallographica Section E","2020","76","12","1805","1809","10.1107/S2056989020014371","","","1.54184","CuKα","","0.0562","0.0496","","","0.1389","0.1475","","","","","","1.064","","","","has coordinates,has Fobs","258722","2020-11-04","05:15:32",""
"2243662","8.2431","0.0016","4.8088","0.001","26.754","0.005","90","","90.1","0.03","90","","1060.5","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(4-Aminobenzoyloxy)acetamide monohydrate 4-Aminobenzoic acid carbamoylmethyl ester monohydrate","2-Amino-2-oxoethyl 4-aminobenzoate monohydrate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.","Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate","Acta Crystallographica Section E","2020","76","12","1805","1809","10.1107/S2056989020014371","","","1.54184","CuKα","","0.1105","0.053","","","0.1149","0.1496","","","","","","0.994","","","","has coordinates,has Fobs","258722","2020-11-04","05:15:33",""
"2243663","9.3953","0.0005","11.7817","0.0006","9.8243","0.0005","90","","106.547","0.004","90","","1042.44","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)","Bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)","","- C12 H16 Cl6 N4 Sn -","- C12 H16.048 Cl6 N4 Sn -","- C24 H32.096 Cl12 N8 Sn2 -","2","0.5","VM2239","Ferjani, Hela","Crystal structure, optical property and Hirshfeld surface analysis of bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)","Acta Crystallographica Section E","2020","76","10","1624","1628","10.1107/S2056989020012177","","","0.71073","MoKα","","0.057","0.0388","","","0.0789","0.0857","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","259016","2020-11-06","23:24:38",""
"2243664","7.97","0.0014","7.97","0.0014","3.2034","0.0004","90","","90","","120","","176.22","0.05","293","2","293","2","","","","","","","","2","P -6","P -6","174","Cobalt phosphide","Dodecacobalt heptaphosphide","","- Co12 P7 -","- Co12 P7 -","- Co12 P7 -","1","0.166667","WM5583","Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew","The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data","Acta Crystallographica Section E","2020","76","10","1665","1668","10.1107/S2056989020012657","","","0.29521","synchrotron","","0.0377","0.0369","","","0.0951","0.0957","","","","","","1.124","","","","has coordinates,has Fobs","259017","2020-11-06","23:25:30",""
"2243665","8.253","0.005","8.253","0.005","3.2902","0.0018","90","","90","","120","","194.1","0.2","293","2","293","2","","","","","","","","2","P -6","P -6","174","","","","- Co12 P7 -","- Co12 P7 -","- Co12 P7 -","1","0.166667","","Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew","The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data","Acta Crystallographica Section E","2020","76","10","1665","1668","10.1107/S2056989020012657","","","0.3344","synchrotron","","0.0835","0.0533","","","0.0955","0.105","","","","","","1.111","","","","has coordinates,has Fobs","259017","2020-11-06","23:25:32",""
"2243666","8.0547","0.0006","18.7875","0.0014","8.966","0.0007","90","","102.53","0.006","90","","1324.49","0.18","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","I","<i>trans</i>-4,8-Dimethyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","0.71073","MoKα","","0.1009","0.0845","","","0.216","0.2303","","","","","","1.094","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:06",""
"2243667","15.3128","0.0003","5.55594","0.00011","20.5689","0.0004","90","","95.7658","0.0018","90","","1741.09","0.06","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","II","<i>cis</i>-4-(4-Bromophenyl)-13-methyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","1.54184","CuKα","","0.0273","0.0268","","","0.0614","0.0616","","","","","","1.101","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:07",""
"2243668","11.2952","0.0008","20.9595","0.0015","6.684","0.0005","90","","90","","90","","1582.4","0.2","93","2","93","2","","","","","","","","3","P n a 21","P 2c -2n","33","III","<i>trans</i>-11-Methyl-4-phenyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","0.71073","MoKα","","0.0545","0.0499","","","0.1228","0.1276","","","","","","1.149","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:07",""
"2243669","13.5644","0.0005","20.3405","0.0007","17.4818","0.0008","90","","94.858","0.004","90","","4806","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl (<i>RS</i>)-2-[(4-bromophenyl)(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methyl]propanedioate","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C192 H200 Br8 N16 O40 -","8","2","ZL2798","Shreekanth, Tharangini K.; Yathirajan, Hemmige S.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Order <i>versus</i> disorder in two isomorphous pyrazolone-substituted diethyl propanedioates prepared using a three-component one-pot reaction under solvent-free conditions","Acta Crystallographica Section E","2020","76","10","1605","1610","10.1107/S2056989020011676","","","0.71073","MoKα","","0.1229","0.0648","","","0.1363","0.1643","","","","","","1.025","","","","has coordinates,has Fobs","259019","2020-11-06","23:29:25",""
"2243670","13.5609","0.0008","20.28","0.001","17.728","0.001","90","","95.363","0.005","90","","4854.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl (<i>RS</i>)-2-[(4-chlorophenyl)(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methyl]propanedioate","","- C24 H25 Cl N2 O5 -","- C24 H25 Cl N2 O5 -","- C192 H200 Cl8 N16 O40 -","8","2","ZL2798","Shreekanth, Tharangini K.; Yathirajan, Hemmige S.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Order <i>versus</i> disorder in two isomorphous pyrazolone-substituted diethyl propanedioates prepared using a three-component one-pot reaction under solvent-free conditions","Acta Crystallographica Section E","2020","76","10","1605","1610","10.1107/S2056989020011676","","","0.71073","MoKα","","0.0999","0.0669","","","0.1695","0.1916","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","259019","2020-11-06","23:29:26",""
"2243671","7.7574","0.001","8.4763","0.001","14.3322","0.0019","90","","97.526","0.012","90","","934.3","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethoxybenzic acid.","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","IS5548","Portalone, Gustavo","Crystal structure and Hirshfeld surface analysis of a third polymorph of 2,6-dimethoxybenzoic acid","Acta Crystallographica Section E","2020","76","12","1823","1826","10.1107/S2056989020014553","","","0.710689","MoKα","","0.1073","0.0486","","","0.1041","0.1317","","","","","","1.02","","","","has coordinates,has Fobs","259029","2020-11-07","05:17:26",""
"2243672","17.8114","0.0013","8.9398","0.0006","18.0245","0.0014","90","","100.524","0.003","90","","2821.8","0.4","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(<i>SP</i>-4-2)-<i>cis</i>-Bis[8-(dimethylphosphanyl)quinoline-κ^2^<i>N</i>,<i>P</i>]nickel(II) bis(perchlorate) nitromethane monosolvate","","- C23 H27 Cl2 N3 Ni O10 P2 -","- C23 H27 Cl2 N3 Ni O10 P2 -","- C92 H108 Cl8 N12 Ni4 O40 P8 -","4","1","PK2650","Mori, Masatoshi; Suzuki, Takayoshi","Comparison of molecular structures of <i>cis</i>-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations","Acta Crystallographica Section E","2020","76","12","1813","1817","10.1107/S2056989020014437","","","0.71075","MoKα","","0.051","0.0429","","","0.1119","0.1169","","","","","","1.047","","","","has coordinates,has Fobs","259030","2020-11-07","05:18:06",""
"2243673","7.9102","0.0003","21.0833","0.0005","16.7519","0.0004","90","","95.3931","0.0011","90","","2781.4","0.14","188","2","188","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(<i>SP</i>-4-2)-<i>cis</i>-Bis[8-(dimethylphosphanyl)quinoline-κ^2^<i>N</i>,<i>P</i>]platinum(II) bis(tetrafluoroborate) acetonitrile monosolvate","","- C24 H27 B2 F8 N3 P2 Pt -","- C24 H27 B2 F8 N3 P2 Pt -","- C96 H108 B8 F32 N12 P8 Pt4 -","4","1","PK2650","Mori, Masatoshi; Suzuki, Takayoshi","Comparison of molecular structures of <i>cis</i>-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations","Acta Crystallographica Section E","2020","76","12","1813","1817","10.1107/S2056989020014437","","","0.71075","MoKα","","0.0404","0.0325","","","0.0778","0.0835","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","259030","2020-11-07","05:18:07",""
"2243674","19.0586","0.0007","13.9627","0.0005","8.1459","0.0003","90","","101.78","0.0011","90","","2122.05","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-methyl-3-[11-(pyridin-2-yl)-6,11-dihydro-6,11-epoxydibenzo[<i>b</i>,<i>e</i>]oxepin-6-yl]isoxazole-4-carboxylate","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","HB7949","Weaver, Matthew J.; Campbell, Michael J.; Li, Chun; Natale, Nicholas R.","Ethyl 5-methyl-3-[11-(pyridin-2-yl)-6,11-dihydro-6,11-epoxydibenzo[<i>b</i>,<i>e</i>]oxepin-6-yl]isoxazole-4-carboxylate: a bicyclic acetal from the rearrangement of an anthracenyl isoxazole","Acta Crystallographica Section E","2020","76","12","1818","1822","10.1107/S2056989020014358","","","0.7288","synchrotron","","0.0734","0.0517","","","0.1322","0.1447","","","","","","1.053","","","","has coordinates,has Fobs","259031","2020-11-07","05:18:37",""
"2243675","9.6579","0.0019","11.798","0.002","12.216","0.002","100.95","0.03","109.41","0.03","111.12","0.03","1146.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Di-<i>tert</i>-butyl 2,2'-[(ethylazanediyl)bis(methylene)]bis(1<i>H</i>-pyrrole-1-carboxylate)","","- C22 H33 N3 O4 -","- C22 H33 N3 O4 -","- C44 H66 N6 O8 -","2","1","YZ2002","Kvyatkovskaya, Elizaveta A.; Atioğlu, Zeliha; Akkurt, Mehmet; Epifanova, Polina P.; Valchuk, Karina S.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld analysis of di-<i>tert</i>-butyl 2,2'-[(ethylazanediyl)bis(methylene)]bis(1<i>H</i>-pyrrole-1-carboxylate)","Acta Crystallographica Section E","2020","76","12","1827","1831","10.1107/S2056989020014966","","","0.9699","synchrotron","","0.0885","0.0665","","","0.1586","0.1797","","","","","","1.04","","","","has coordinates,has Fobs","259138","2020-11-14","05:14:22",""
"2243676","15.768","0.005","4.7583","0.0015","17.316","0.006","90","","101.572","0.008","90","","1272.8","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Furan-2-ylmethylidene)thiazolo[3,4-<i>a</i>]benzimidazole-1-thione","","- C14 H8 N2 O S2 -","- C14 H8 N2 O S2 -","- C56 H32 N8 O4 S8 -","4","1","WM5587","Khaldi, Hafsa; Djafri, Ahmed; Megrouss, Youcef; Khelloul, Nawel; Chouaih, Abdelkader; Djafri, Ayada","Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 3-(furan-2-ylmethylidene)thiazolo[3,4-<i>a</i>]benzimidazole-1-thione","Acta Crystallographica Section E","2020","76","12","1832","1836","10.1107/S2056989020015017","","","0.71073","MoKα","","0.0707","0.0515","","","0.1033","0.1134","","","","","","0.963","","","","has coordinates,has Fobs","259139","2020-11-14","05:14:52",""
"2243677","13.2962","0.001","6.23","0.0004","12.9294","0.0011","90","","97.226","0.006","90","","1062.5","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Potassium 9,9-difluoro-10-oxa-9-boraphenanthren-9-ide","Potassium 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide","","- C12 H8 B F2 K O -","- C12 H8 B F2 K O -","- C48 H32 B4 F8 K4 O4 -","4","1","HB7952","Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael","Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations","Acta Crystallographica Section E","2020","76","12","1837","1840","10.1107/S2056989020015066","","","0.71073","MoKα","","0.0342","0.0303","","","0.0805","0.0826","","","","","","1.057","","","","has coordinates,has Fobs","259160","2020-11-18","05:09:12",""
"2243678","10.3527","0.0004","13.5958","0.0005","23.4352","0.0009","86.218","0.003","78.916","0.003","87.104","0.003","3227.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Bis(tetraphenylphosphonium) bis(9,9-difluoro-10-oxa-9-boraphenanthren-9-ide) acetonitrile trisolvate","Bis(tetraphenylphosphonium) 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide acetonitrile trisolvate","","- C78 H65 B2 F4 N3 O2 P2 -","- C78 H65 B2 F4 N3 O2 P2 -","- C156 H130 B4 F8 N6 O4 P4 -","2","1","HB7952","Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael","Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations","Acta Crystallographica Section E","2020","76","12","1837","1840","10.1107/S2056989020015066","","","0.71073","MoKα","","0.0448","0.0413","","","0.1065","0.1088","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","259160","2020-11-18","05:09:13",""
"2243679","10.7245","0.0003","6.205","0.0003","15.1579","0.0005","90","","103.14","0.003","90","","982.28","0.06","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C12 H24 N6 Ni S4 -","- C12 H24 N6 Ni S4 -","- C24 H48 N12 Ni2 S8 -","2","0.5","TX2033","Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian","Crystal structure of bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2020","76","12","1841","1845","10.1107/S2056989020015121","","","0.71073","MoKα","","0.0497","0.0384","","","0.0929","0.0981","","","","","","1.046","","","","has coordinates,has Fobs","259161","2020-11-18","05:09:43",""
"2243680","9.437","0.0004","9.5675","0.0005","19.1526","0.001","90.331","0.004","99.828","0.004","90.436","0.004","1703.79","0.15","295","1","295","1","","","","","","","","6","P -1","-P 1","2","Sodium diclofenac 3.5-hydrate","Tetra-μ-aqua-κ^8^<i>O</i>:<i>O</i>-decaaquabis{μ~3~-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>}tetrasodium(I) bis{2-[2-(2,6-dichloroanilino)phenyl]acetate}","","- C28 H34 Cl4 N2 Na2 O11 -","- C28 H34 Cl4 N2 Na2 O11 -","- C56 H68 Cl8 N4 Na4 O22 -","2","1","JY2003","Angel Nieto, Ismael; Bernès, Sylvain; Pérez-Benítez, Aarón","Crystal structure of a new hydrate form of the NSAID sodium diclofenac","Acta Crystallographica Section E","2020","76","12","1846","1850","10.1107/S2056989020015108","","x-ray","0.56083","AgKα","","0.0875","0.0414","","","0.0906","0.1027","","","","","","0.844","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2243681","8.9428","0.0004","9.5089","0.0004","12.109","0.0005","100.395","0.001","91.739","0.001","108.97","0.001","953.4","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{2-[2-(2-Acetylethenyl)phenoxy]ethyl}-<i>N</i>-ethenyl-4-methylbenzenesulfonamide","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C42 H46 N2 O8 S2 -","2","1","YK2141","Temesgen, Ayalew W.; Luong, Minh Duc; Truong, Hong Hieu; Nguyen, Van Tuyen; Dang, Thi Tuyet Anh; Le, Tuan Anh; Tskhovrebov, Alexander G.; Khrustalev, Victor N.","Unexpected synthesis and crystal structure of <i>N</i>-{2-[2-(2-acetylethenyl)phenoxy]ethyl}-<i>N</i>-ethenyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","12","1851","1853","10.1107/S2056989020015194","","","0.71073","MoKα","","0.0476","0.0409","","","0.1078","0.1136","","","","","","1.029","","","","has coordinates,has Fobs","259213","2020-11-21","05:22:56",""
"2243682","6.5782","0.0004","9.5213","0.0005","10.4848","0.0006","63.696","0.004","84.656","0.005","76.146","0.004","571.51","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Thulium nitrate","","- H10 N3 O14 Tm -","- H10 N3 O14 Tm -","- H20 N6 O28 Tm2 -","2","1","WM5589","Klein, Wilhelm","Crystal structures of the penta- and hexahydrate of thulium nitrate","Acta Crystallographica Section E","2020","76","12","1863","1867","10.1107/S2056989020015388","","","0.71073","MoKα","","0.0236","0.0171","","","0.0285","0.0289","","","","","","0.647","","","","has coordinates,has Fobs","259243","2020-11-25","05:21:02",""
"2243683","6.705","0.0003","8.9733","0.0004","11.4915","0.0006","70.924","0.004","88.908","0.004","68.923","0.004","605.9","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Thulium nitrate","","- H12 N3 O15 Tm -","- H12 N3 O15 Tm -","- H24 N6 O30 Tm2 -","2","1","WM5589","Klein, Wilhelm","Crystal structures of the penta- and hexahydrate of thulium nitrate","Acta Crystallographica Section E","2020","76","12","1863","1867","10.1107/S2056989020015388","","","0.71073","MoKα","","0.0201","0.0162","","","0.0342","0.0345","","","","","","0.913","","","","has coordinates,has Fobs","259243","2020-11-25","05:21:03",""
"2243684","7.4591","0.0007","5.5045","0.0006","11.7803","0.0012","90","","99.638","0.005","90","","476.86","0.08","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","<i>trans</i>-1,2-Bis(pyridin-3-yl)ethylene","<i>trans</i>-1,2-Bis(pyridin-3-yl)ethene","","- C12 H10 N2 -","- C12 H10 N2 -","- C24 H20 N4 -","2","0.5","DJ2017","Quentin, Jay; Reinheimer, Eric W.; MacGillivray, Leonard R.","X-ray crystal structure of <i>trans</i>-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(<i>n</i>-pyridyl)ethylenes (<i>n</i> = 2, 3, or 4) constitutional isomers","Acta Crystallographica Section E","2020","76","12","1859","1862","10.1107/S2056989020015303","","","0.71073","MoKα","","0.0787","0.0495","","","0.1251","0.1366","","","","","","1.068","","","","has coordinates,has Fobs","259244","2020-11-25","05:21:32",""
"2243685","20.76","0.004","9.5527","0.0019","12.045","0.002","90","","91.929","0.004","90","","2387.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine carboacetaminophenborane‒acetaminophen (1/1)","Hexamethylenetetramine 4-acetamidophenyl 2-boranylacetate‒4-acetamidophenol (1/1)","","- C23 H31 B N6 O5 -","- C23 H31 B N6 O5 -","- C92 H124 B4 N24 O20 -","4","1","HB7947","Ayudhya, Theppawut; Raymond, Casey; Dingra, Nin","Synthesis and structure of a 1:1 co-crystal of hexamethylenetetramine carboxyborane and acetaminophen","Acta Crystallographica Section E","2020","76","12","1854","1858","10.1107/S2056989020015327","","","0.71073","MoKα","","0.0864","0.0413","","","0.0656","0.072","","","","","","1.077","","","","has coordinates,has Fobs","259245","2020-11-25","05:22:03",""
"2243686","5.0826","0.0001","18.1273","0.0007","7.9875","0.0002","90","","90","","90","","735.92","0.04","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium terbium bis(molybdate)","","- K Mo2 O8 Tb -","- K Mo2 O8 Tb -","- K4 Mo8 O32 Tb4 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0354","0.033","","","0.1","0.1022","","","1.083","","","1.083","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:21",""
"2243687","5.0776","0.0002","18.1214","0.0007","7.9428","0.0003","90","","90","","90","","730.84","0.05","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium dysprosium bis(molybdate)","","- Dy K Mo2 O8 -","- Dy K Mo2 O8 -","- Dy4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0395","0.0325","","","0.0849","0.0882","","","1.096","","","1.096","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243688","5.077","0.0015","18.161","0.005","7.934","0.002","90","","90","","90","","731.5","0.3","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium holmium bis(molybdate)","","- Ho K Mo2 O8 -","- Ho K Mo2 O8 -","- Ho4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0316","0.0266","","0.0611","","0.0625","","","1.254","","","1.254","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243689","5.0602","0.0002","18.1965","0.0008","7.892","0.0003","90","","90","","90","","726.68","0.05","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium erbium bis(molybdate)","","- Er K Mo2 O8 -","- Er K Mo2 O8 -","- Er4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.03","0.0265","","0.0709","","0.0727","","","1.061","","","1.061","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243690","5.0417","0.0005","18.3039","0.0019","7.8693","0.0008","90","","90","","90","","726.2","0.13","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium ytterbium bis(molybdate)","","- K Mo2 O8 Yb -","- K Mo2 O8 Yb -","- K4 Mo8 O32 Yb4 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0267","0.0224","","0.0609","","0.0632","","","1.108","","","1.108","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243691","5.0292","0.0002","18.2519","0.001","7.8174","0.0004","90","","90","","90","","717.58","0.06","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium lutetium bis(molybdate)","","- K Lu Mo2 O8 -","- K Lu Mo2 O8 -","- K4 Lu4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0333","0.0273","","0.0733","","0.0769","","","1.17","","","1.17","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""