# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T15:43:07+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 = 79 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"2022733","10.0531","0.0002","17.3479","0.0004","34.3141","0.0005","90","","90","","90","","5984.4","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(isoselenocyanato-κ<i>N</i>)tetrakis(4-methoxypyridine-κ<i>N</i>)cobalt(II)","","- C26 H28 Co N6 O4 Se2 -","- C26 H28 Co N6 O4 Se2 -","- C208 H224 Co8 N48 O32 Se16 -","8","1","PK2678","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of bis(isoselenocyanato-κN)tetrakis(4-methoxypyridine-κN)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","3","216","220","10.1107/S2056989023001391","","","0.71073","MoKα","","0.0452","0.0376","","","0.0834","0.0871","","","","","","1.073","","","","has coordinates,has Fobs","282431","2023-04-05","16:09:24",""
"2022749","8.94782","0.0001","9.03908","0.00009","14.87299","0.00018","90.9441","0.0009","104.12","0.001","111.745","0.001","1075.92","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,6-Diamino-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3,5-dicarbonitrile","","- C11 H7 N5 O S -","- C11 H7 N5 O S -","- C44 H28 N20 O4 S4 -","4","2","TX2066","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Kerimli, Fuad Sh.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 1,6-diamino-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3,5-dicarbonitrile","Acta Crystallographica Section E Crystallographic Communications","2023","79","5","494","498","10.1107/S2056989023003237","","","1.54184","CuKα","","0.0408","0.0404","","","0.1042","0.1045","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","284372","2023-06-06","05:31:33",""
"2022778","10.4134","0.0002","6.9167","0.0002","20.4801","0.0005","90","","90.308","0.002","90","","1475.09","0.06","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","1-[4-(1-Hydroxycyclohexan-1-yl)buta-1,3-diyne-1-yl]cyclohexan-1-ol","1,1'-(Buta-1,3-diyne-1,4-diyl)bis(cyclohexan-1-ol)","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","ZV2024","Tirkasheva, Sarvinoz I.; Ziyadullaev, Odiljon E.; Eshimbetov, Alisher G.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M.","Synthesis, crystal structure, Hirshfeld surface analysis and DFT study of the 1,1′-(buta-1,3-diyne-1,4-diyl)bis(cyclohexan-1-ol)","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004772","","x-ray","1.54184","CuKα","","0.0594","0.0444","","","0.1181","0.1291","","","","","","1.066","","","","has coordinates,has Fobs","284686","2023-06-29","15:39:29",""
"2022779","11.5094","0.0009","13.9839","0.0008","9.4247","0.0005","90","","90","","90","","1516.87","0.17","213","2","213","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[bis(diaqualithium)]-μ~4~-3,3',5,5'-tetranitro-4,4'-bipyrazole-1,1'-diido]","","- C6 H8 Li2 N8 O12 -","- C6 H8 Li2 N8 O12 -","- C24 H32 Li8 N32 O48 -","4","0.5","PK2688","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald","catena-Poly[[bis(diaqualithium)]-μ4-3,3′,5,5′-tetranitro-4,4′-bipyrazole-1,1′-diido]: a new moisture-insensitive alkali-metal energetic salt with a well-defined network structure","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005339","","","0.71073","MoKα","","0.0468","0.0299","","","0.0697","0.0723","","","","","","0.88","","","","has coordinates,has Fobs","284687","2023-06-29","15:40:19",""
"2022780","10.2674","0.001","10.9688","0.001","17.157","0.0016","73.835","0.003","77.573","0.003","72.894","0.003","1754.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","Trisodium tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)samarate(III) tetradecahydrate","","- C21 H37 N3 Na3 O26 Sm -","- C21 H37 N3 Na3 O26 Sm -","- C42 H74 N6 Na6 O52 Sm2 -","2","1","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Crystal structures of two SmIII complexes with dipicolinate [DPA]2− ligands: comparison of luminescent properties of products obtained at different pH values","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004814","","","0.71073","MoKα","","0.0259","0.023","","","0.057","0.0581","","","","","","1.11","","","","has coordinates,has Fobs","284688","2023-06-29","15:41:29",""
"2022781","13.9292","0.0008","11.1969","0.0007","12.8086","0.0007","90","","103.049","0.002","90","","1946.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaqua(6-carboxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)samarium(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^2^] tetrahydrate]","","- C14 H19 N2 O14 Sm -","- C14 H19 N2 O14 Sm -","- C56 H76 N8 O56 Sm4 -","4","1","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Crystal structures of two SmIII complexes with dipicolinate [DPA]2− ligands: comparison of luminescent properties of products obtained at different pH values","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004814","","","0.71073","MoKα","","0.0233","0.0181","","","0.0397","0.0415","","","","","","1.077","","","","has coordinates,has Fobs","284688","2023-06-29","15:41:29",""
"2022782","13.2004","0.0004","13.2004","0.0004","13.2004","0.0004","90","","90","","90","","2300.18","0.12","223","2","223","2","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","Trisilver Didysprosium nonanitrate","","- Ag3 Dy2 N9 O27 -","- Ag3 Dy2 N9 O27 -","- Ag12 Dy8 N36 O108 -","4","0.166667","PK2686","Klein, Wilhelm","Crystal structure of Ag3Dy2(NO3)9 and quantitative comparison to isotypic compounds","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004747","","","0.71073","MoKα","","0.0482","0.0445","","","0.1187","0.122","","","","","","1.177","","","","has coordinates,has Fobs","284689","2023-06-29","15:42:36",""
"2022783","6.2384","0.00006","7.4355","0.0001","18.32032","0.00017","90","","91.4183","0.0008","90","","849.539","0.016","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-(β-<i>D</i>-Glucopyranosylthio)-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","5-[(β-<i>D</i>-Glucopyranosyl)sulfanyl]-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","","- C15 H19 N3 O5 S2 -","- C15 H19 N3 O5 S2 -","- C30 H38 N6 O10 S4 -","2","1","YZ2035","Abu-Zaied, Mamdouh A.; Hebishy, Ali M. S.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G.","Crystal structure of 5-(β-D-glucopyranosylthio)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005248","","x-ray","1.54184","CuKα","","0.0191","0.019","","","0.0496","0.0497","","","","","","1.031","","","","has coordinates,has Fobs","284690","2023-06-29","15:43:33",""
"2022784","16.7473","0.0003","12.1998","0.0002","20.9668","0.0004","90","","90","","90","","4283.8","0.13","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tris(2,6-dimethylphenyl isocyanide)(η^4^-tetraphenylcyclopentadienone)iron","","- C56 H47 Fe N3 O -","- C56 H47 Fe N3 O -","- C224 H188 Fe4 N12 O4 -","4","1","MW2197","Bütikofer, André; Chen, Peter","Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300498X","","x-ray","1.54184","CuKα","","0.0514","0.0422","","","0.1041","0.1093","","","","","","1.048","","","","has coordinates,has Fobs","284691","2023-06-29","15:44:42",""
"2022785","15.2471","0.0001","19.8604","0.0001","15.5785","0.0001","90","","99.378","0.001","90","","4654.33","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(naphthalen-2-yl isocyanide)(η^4^-tetraphenylcyclopentadienone)iron acetone hemisolvate","","- C127 H88 Fe2 N6 O3 -","- C127 H88 Fe2 N6 O3 -","- C254 H176 Fe4 N12 O6 -","2","1","","Bütikofer, André; Chen, Peter","Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300498X","","x-ray","1.54184","CuKα","","0.0388","0.0363","","","0.0985","0.0999","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","284691","2023-06-29","15:44:43",""
"2022786","10.793","0.0011","7.2019","0.0007","13.7605","0.0014","90","","100.47","0.0018","90","","1051.79","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]cadmium(II)]-di-μ-bromido]","","- C8 H6 Br2 Cd N2 O -","- C8 H6 Br2 Cd N2 O -","- C32 H24 Br8 Cd4 N8 O4 -","4","1","","Turgunov, Kambarali K.; Englert, Ulli","Metal halide coordination compounds with quinazolin-4(3H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004802","","","0.71073","MoKα","","0.0557","0.0387","","","0.0693","0.0758","","","","","","1.037","","","","has coordinates,has Fobs","284692","2023-06-29","15:46:08",""
"2022787","6.8191","0.0008","7.0735","0.0008","10.4659","0.0012","85.718","0.002","80.7887","0.0019","89.152","0.002","496.92","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]mercury(II)]-di-μ-chlorido]","","- C8 H6 Cl2 Hg N2 O -","- C8 H6 Cl2 Hg N2 O -","- C16 H12 Cl4 Hg2 N4 O2 -","2","1","","Turgunov, Kambarali K.; Englert, Ulli","Metal halide coordination compounds with quinazolin-4(3H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004802","","","0.71073","MoKα","","0.0393","0.0356","","","0.0734","0.0756","","","","","","1.077","","","","has coordinates,has Fobs","284692","2023-06-29","15:46:18",""
"2022788","22.242","0.003","6.845","0.0009","13.3702","0.0017","90","","118.822","0.0016","90","","1783.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diiodidobis[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]cadmium(II)","","- C16 H12 Cd I2 N4 O2 -","- C16 H12 Cd I2 N4 O2 -","- C64 H48 Cd4 I8 N16 O8 -","4","0.5","","Turgunov, Kambarali K.; Englert, Ulli","Metal halide coordination compounds with quinazolin-4(3H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004802","","","0.71073","MoKα","","0.0283","0.0263","","","0.0621","0.0629","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","284692","2023-06-29","15:46:34",""
"2022789","7.88","0.0002","8.1542","0.0002","10.5374","0.0003","95.784","0.002","91.525","0.002","112.472","0.001","620.92","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Bis(caffeinium) hexachloridoplatinum(IV)","Bis(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-9-ium) hexachloridoplatinum(IV)","","- C16 H22 Cl6 N8 O4 Pt -","- C16 H22 Cl6 N8 O4 Pt -","- C16 H22 Cl6 N8 O4 Pt -","1","0.5","ZV2027","Zagidullin, Karim A.; Novikov, Anton P.; Zelenina, Daria A.; Grigoriev, Mikhail S.; German, Konstantin E.","Synthesis, crystal structure and Hirshfeld surface analysis of bis(caffeinium) hexachloridoplatinum(IV) in comparison with some related compounds","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005157","","","0.71073","MoKα","","0.0229","0.022","","","0.0412","0.0414","","","","","","1.036","","","","has coordinates,has Fobs","284693","2023-06-29","15:47:25",""
"2022790","31.7847","0.0008","6.0289","0.0001","23.722","0.0006","90","","132.669","0.004","90","","3342.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene","","- C18 H18 Cl2 N2 -","- C18 H18 Cl2 N2 -","- C144 H144 Cl16 N16 -","8","1","WM5684","Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300511X","","","1.54184","CuKα","","0.0406","0.0381","","","0.1021","0.105","","","","","","1.082","","","","has coordinates,has Fobs","284694","2023-06-29","15:48:54",""
"2022791","30.9062","0.0006","6.27248","0.00005","23.3475","0.0004","90","","127.223","0.003","90","","3604.08","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-\ (4-methylphenyl)diazene","","- C19 H20 Cl2 N2 -","- C19 H20 Cl2 N2 -","- C152 H160 Cl16 N16 -","8","1","WM5684","Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300511X","","","1.54184","CuKα","","0.0335","0.0325","","","0.0894","0.0903","","","","","","1.097","","","","has coordinates,has Fobs","284694","2023-06-29","15:48:59",""
"2022792","13.8738","0.0002","12.5946","0.0002","11.3013","0.0001","90","","112.505","0.001","90","","1824.35","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene","","- C19 H20 Cl2 N2 O -","- C19 H20 Cl2 N2 O -","- C76 H80 Cl8 N8 O4 -","4","1","WM5684","Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300511X","","","1.54184","CuKα","","0.0447","0.0429","","","0.1155","0.1179","","","","","","1.058","","","","has coordinates,has Fobs","284694","2023-06-29","15:49:11",""
"2022793","9.8352","0.0002","11.8401","0.0002","16.3964","0.0002","98.397","0.001","96.189","0.001","107.149","0.001","1781.78","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-\ (3-methylphenyl)δiazene","","- C19 H20 Cl2 N2 -","- C19 H20 Cl2 N2 -","- C76 H80 Cl8 N8 -","4","2","WM5684","Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300511X","","","1.54184","CuKα","","0.0598","0.0577","","","0.1679","0.1707","","","","","","1.041","","","","has coordinates,has Fobs","284694","2023-06-29","15:49:26",""
"2022794","17.1868","0.0013","7.1278","0.0005","11.4447","0.0008","90","","90","","90","","1402.02","0.17","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)manganese(II) sulfate","","- C7 H19 Mn N O9 S -","- C7 H19 Mn N O9 S -","- C28 H76 Mn4 N4 O36 S4 -","4","0.5","ZV2026","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0403","0.0321","","","0.0764","0.0808","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:18",""
"2022795","17.1238","0.001","7.1064","0.0004","11.2576","0.0006","90","","90","","90","","1369.92","0.13","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)cobalt(II) sulfate","","- C7 H19 Co N O9 S -","- C7 H19 Co N O9 S -","- C28 H76 Co4 N4 O36 S4 -","4","0.5","","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0349","0.0275","","","0.0654","0.0694","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:24",""
"2022796","17.1196","0.0008","7.0609","0.0003","11.2233","0.0005","90","","90","","90","","1356.67","0.1","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)nickel(II) sulfate","","- C7 H19 N Ni O9 S -","- C7 H19 N Ni O9 S -","- C28 H76 N4 Ni4 O36 S4 -","4","0.5","","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0262","0.0228","","","0.0577","0.0595","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:36",""
"2022797","17.1312","0.0008","7.0826","0.0003","11.2879","0.0005","90","","90","","90","","1369.6","0.11","297","2","297.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)zinc(II) sulfate","","- C7 H19 N O9 S Zn -","- C7 H19 N O9 S Zn -","- C28 H76 N4 O36 S4 Zn4 -","4","0.5","","Golen, James A.; Manke, David R.","3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023005261","","","0.71073","MoKα","","0.0238","0.0214","","","0.0543","0.0556","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","284695","2023-06-29","15:51:53",""
"2022798","5.5005","0.0002","12.1363","0.0005","26.147","0.001","90","","90","","90","","1745.46","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>H</i>-Imidazole-κ<i>N</i>^3^)[<i>N</i>-(2-oxidobenzylidene)tyrosinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C19 H17 Cu N3 O4 -","- C19 H17 Cu N3 O4 -","- C76 H68 Cu4 N12 O16 -","4","1","EX2071","Suzuki, Soma; Akiyama, Yukihito; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[N-(2-oxidobenzylidene)tyrosinato-κ3 O,N,O′]copper(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004735","","","0.71073","MoKα","","0.0255","0.025","","","0.0613","0.0617","","","","","","1.056","","","","has coordinates,has Fobs","284696","2023-06-29","15:53:07",""
"2022799","12.8264","0.0003","5.5423","0.0001","17.4082","0.0004","90","","109.522","0.001","90","","1166.37","0.04","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Amino-5-chlorobenzophenone oxime","4-Chloro-2-[(hydroxyimino)(phenyl)methyl]aniline","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","TX2069","Geetha, Doreswamy; Kavitha, Channappa N.; Divakara, Thayamma R.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld-surface analysis of a monoclinic polymorph of 2-amino-5-chlorobenzophenone oxime at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004668","","","0.71073","MoKα","","0.0429","0.0333","","","0.0781","0.0827","","","","","","1.045","","","","has coordinates,has Fobs","284697","2023-06-29","15:54:01",""
"2022800","4.471","0.002","9.032","0.004","21.652","0.011","90","","92.252","0.008","90","","873.7","0.7","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Bromophenyl)but-3-yn-1-one","","- C10 H7 Br O -","- C10 H7 Br O -","- C40 H28 Br4 O4 -","4","1","DX2053","Siddiqui, Shaziyaparveen K.; Ramana, C. V.; Gonnade, Rajesh G.","Crystal structure of 1-(4-bromophenyl)but-3-yn-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300508X","","","0.71073","MoKα","","0.0656","0.0482","","","0.1281","0.1401","","","","","","1.022","","","","has coordinates,has Fobs","284700","2023-06-29","15:54:54",""
"2022801","13.9764","0.0007","17.8228","0.0009","23.059","0.0011","90","","90","","90","","5744","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>R</i>)-4-Bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1<i>H</i>-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1<i>H</i>-pyrrole","","- C26 H24 Br2 N4 O8 S2 -","- C26 H24 Br2 N4 O8 S2 -","- C208 H192 Br16 N32 O64 S16 -","8","1","VM2284","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structure of (R,R)-4-bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1H-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1H-pyrrole, another ostensible by-product in the synthesis of geminal-dimethyl hydrodipyrrins","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004644","","x-ray","1.54178","CuKα","","0.0305","0.0304","","","0.0795","0.0795","","","","","","1.081","","","","has coordinates,has Fobs","284701","2023-06-29","15:55:47",""
"2022802","17.6062","0.0011","9.7588","0.0007","13.1509","0.0009","90","","95.905","0.002","90","","2247.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C96 H116 F8 N4 O16 -","4","1","ZN2030","Pehlivanlar, Ezgi; Yıldırım, Sema Öztürk; Şimşek, Rahime; Akkurt, Mehmet; Butcher, Ray J.; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of tert-butyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","664","668","10.1107/S2056989023005455","","","0.71073","MoKα","","0.0821","0.0458","","","0.096","0.1102","","","","","","1.017","","","","has coordinates,has Fobs","284739","2023-07-01","01:49:18",""
"2022803","6.5394","0.0011","8.9611","0.0015","10.202","0.0015","67.965","0.005","79.666","0.006","70.349","0.006","520.92","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Bis({<i>N</i>'-[(<i>Z</i>)-(furan-2-ylmethylidene)amino]carbamimidoyl}sulfanido)nickel(II) methanol disolvate","Bis{(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate","","- C14 H20 N6 Ni O4 S2 -","- C14 H20 N6 Ni O4 S2 -","- C14 H20 N6 Ni O4 S2 -","1","0.5","JY2031","Azizova, Asmet N.; Mammadova, Gunay Z.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","669","673","10.1107/S2056989023005182","","","0.71073","MoKα","","0.0475","0.0318","","","0.0815","0.0875","","","","","","1.035","","","","has coordinates,has Fobs","284740","2023-07-01","01:49:36",""
"2022804","3.7749","0.0002","7.3711","0.0005","14.4524","0.0009","90","","91.096","0.002","90","","402.07","0.04","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(1<i>H</i>-Imidazol-1-yl)benzaldehyde","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C20 H16 N4 O2 -","2","1","JY2032","McClements, Isobelle F.; Wiesler, Clara R.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of two 1-phenyl-1H-imidazoles: 4-(1H-imidazol-1-yl)benzaldehyde and 1-(4-methoxyphenyl)-1H-imidazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","678","681","10.1107/S2056989023005480","","x-ray","1.54178","CuKα","","0.0273","0.0271","","","0.0788","0.079","","","","","","1.139","","","","has coordinates,has Fobs","284741","2023-07-01","01:50:09",""
"2022805","8.5663","0.0012","11.2143","0.0016","9.1635","0.0013","90","","94.448","0.002","90","","877.6","0.2","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxyphenyl)-1<i>H</i>-imidazole","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","JY2032","McClements, Isobelle F.; Wiesler, Clara R.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of two 1-phenyl-1H-imidazoles: 4-(1H-imidazol-1-yl)benzaldehyde and 1-(4-methoxyphenyl)-1H-imidazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","678","681","10.1107/S2056989023005480","","x-ray","0.71073","MoKα","","0.0459","0.0403","","","0.1119","0.1185","","","","","","1.037","","","","has coordinates,has Fobs","284741","2023-07-01","01:50:09",""
"2022806","5.8655","0.0005","14.3499","0.0017","16.4803","0.0019","90","","90","","90","","1387.1","0.3","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3-dihydrobenzo[<i>b</i>][1,4]dioxin-6-yl)prop-2-en-1-one","","- C17 H13 Cl O3 -","- C17 H13 Cl O3 -","- C68 H52 Cl4 O12 -","4","1","VM2285","Vinaya,; Richard, Austin S.; Murthy, Subbiah M.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chlorophenyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","674","677","10.1107/S2056989023005613","","","0.71073","MoKα","","0.0371","0.0334","","","0.0806","0.0827","","","","","","1.065","","","","has coordinates,has Fobs","284742","2023-07-01","01:50:38",""
"2022807","11.7044","0.0017","7.8531","0.001","38.253","0.005","90","","90","","90","","3516.1","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(2-methylphenyl)methylidene]pyridine-4-carbohydrazide; benzoic acid","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C160 H136 N24 O24 -","8","1","EX2072","Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.","Co-crystallization of N′-benzylidenepyridine-4-carbohydrazide and benzoic acid via autoxidation of benzaldehyde","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005698","","x-ray","0.71073","MoKα","","0.0584","0.0537","","","0.1102","0.1123","","","","","","1.177","","","","has coordinates,has Fobs","284812","2023-07-05","02:14:41",""
"2022808","9.5219","0.0002","10.101","0.0002","30.705","0.0008","90","","96.666","0.001","90","","2933.26","0.11","302","2","302","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Naphthalene-2,3-diyl bis(3-benzyloxy)benzoate","","- C38 H28 O6 -","- C38 H28 O6 -","- C152 H112 O24 -","4","1","HB8069","Anil Kumar, H.; Selvanandan, S.; Srinivasa, H. T.; Venkateshappa, G.; Palakshamurthy, B. S.","Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis(3-benzyloxy)benzoate","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005571","","","1.54178","CuKα","","0.0459","0.0418","","","0.1373","0.1419","","","","","","1.058","","","","has coordinates,has Fobs","284813","2023-07-05","02:15:18",""
"2022809","7.9009","0.0004","10.3466","0.0006","9.4948","0.0005","90","","107.703","0.002","90","","739.42","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Dimethylacetamide–1-(dimethyl-λ^4^-azanylidene)ethan-1-ol tribromide (1/1)","","- C8 H19 Br3 N2 O2 -","- C8 H19 Br3 N2 O2 -","- C16 H38 Br6 N4 O4 -","2","0.5","YZ2034","Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1)","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005509","","","0.71073","MoKα","","0.0429","0.0247","","","0.0511","0.0555","","","","","","1.013","","","","has coordinates,has Fobs","284814","2023-07-05","02:16:26",""
"2022810","7.2943","0.0003","7.9544","0.0004","13.6097","0.0007","90.645","0.002","103.651","0.002","93.656","0.002","765.51","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Dimethylacetamide–1-(dimethyl-λ^4^-azanylidene)ethan-1-ol dibromidoiodate (1/1)","","- C8 H19 Br2 I N2 O2 -","- C8 H19 Br2 I N2 O2 -","- C16 H38 Br4 I2 N4 O4 -","2","1","YZ2034","Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1)","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005509","","","0.71073","MoKα","","0.0298","0.019","","","0.0351","0.0376","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","284814","2023-07-05","02:16:26",""
"2022811","10.5264","0.0003","6.7261","0.0002","10.8124","0.0003","90","","105.95","0.001","90","","736.06","0.04","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","<i>N</i>,<i>N</i>-Dimethylacetamide–1-(dimethyl-λ^4^-azanylidene)ethan-1-ol dichloridoiodate (1/1)","","- C8 H19 Cl2 I N2 O2 -","- C8 H19 Cl2 I N2 O2 -","- C16 H38 Cl4 I2 N4 O4 -","2","0.25","YZ2034","Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1)","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005509","","","0.71073","MoKα","","0.0078","0.0078","","","0.0216","0.0216","","","","","","1.064","","","","has coordinates,has Fobs","284814","2023-07-05","02:16:27",""
"2022812","11.7356","0.0014","9.2401","0.0008","11.397","0.0014","90","","113.148","0.014","90","","1136.4","0.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(Benzylamino)methylidene]pentane-2,4-dione","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","WM5685","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S205698902300587X","","","0.71073","MoKα","","0.0746","0.041","","","0.0871","0.0969","","","","","","0.94","","","","has coordinates,has Fobs","285170","2023-07-12","02:08:11",""
"2022813","9.8226","0.0007","9.8323","0.0006","11.27","0.0008","90","","108.171","0.005","90","","1034.16","0.13","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(<i>tert</i>-Butylamino)methylidene]pentan-2,4-dione","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C40 H68 N4 O8 -","4","1","WM5685","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S205698902300587X","","","0.71073","MoKα","","0.052","0.0361","","","0.0963","0.1041","","","","","","1.029","","","","has coordinates,has Fobs","285170","2023-07-12","02:08:12",""
"2022814","10.0459","0.0009","8.1011","0.0005","15.7052","0.0013","90","","103.372","0.007","90","","1243.48","0.17","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-{[(<i>S</i>)-Benzyl(methyl)amino]methylidene}pentane-2,4-dione","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","2","WM5685","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and benzyl-, tert-butyl- and (S)-methylbenzylamine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S205698902300587X","","","0.71073","MoKα","","0.0661","0.0482","","","0.1157","0.1305","","","","","","1.053","","","","has coordinates,has Fobs","285170","2023-07-12","02:08:12",""
"2022815","15.5444","0.0006","5.5388","0.0003","20.1592","0.0008","90","","103.675","0.007","90","","1686.45","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{<i>S</i>-octyl-3-[(thiophen-2-yl)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}nickel(II)","","- C28 H42 N4 Ni S6 -","- C28 H42 N4 Ni S6 -","- C56 H84 N8 Ni2 S12 -","2","0.5","PK2690","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Crystal structure of bis{S-octyl-3-[(thiophen-2-yl)methylidene]dithiocarbazato-κ2 N 3,S}nickel(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005935","","","0.71075","MoKα","","0.0832","0.0446","","","0.0703","0.0787","","","","","","0.999","","","","has coordinates,has Fobs","285171","2023-07-12","02:08:50",""
"2022816","6.2568","0.0005","11.7542","0.0014","16.9162","0.0019","85.329","0.003","79.534","0.004","87.785","0.003","1219","0.2","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","Trihexyphenidylium 4-nitrobenzoate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium 4-nitrobenzoate","","- C27 H36 N2 O5 -","- C27 H36 N2 O5 -","- C54 H72 N4 O10 -","2","1","VM2286","Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structures of four organic salts of trihexyphenidyl at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005960","","","0.71073","MoKα","","0.0555","0.0465","","","0.1028","0.1074","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","285218","2023-07-15","01:47:16",""
"2022817","45.098","0.002","8.5314","0.0005","12.3516","0.0006","90","","101.789","0.002","90","","4652","0.4","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Trihexyphenidylium 4-hydroxybenzoate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium 4-hydroxybenzoate","","- C27 H37 N O4 -","- C27 H37 N O4 -","- C216 H296 N8 O32 -","8","1","VM2286","Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structures of four organic salts of trihexyphenidyl at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005960","","","0.71073","MoKα","","0.0531","0.0414","","","0.0855","0.09","","","","","","1.03","","","","has coordinates,has Fobs","285218","2023-07-15","01:47:17",""
"2022818","6.2422","0.0004","17.8126","0.0014","21.9938","0.0019","90","","97.345","0.003","90","","2425.4","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trihexyphenidylium 4-bromobenzoate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium 4-bromobenzoate","","- C27 H36 Br N O3 -","- C27 H36 Br N O3 -","- C108 H144 Br4 N4 O12 -","4","1","VM2286","Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structures of four organic salts of trihexyphenidyl at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005960","","","0.71073","MoKα","","0.0482","0.0367","","","0.0712","0.0737","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","285218","2023-07-15","01:47:17",""
"2022819","6.2765","0.0003","18.539","0.0013","20.6383","0.0014","89.71","0.002","81.6","0.002","88.977","0.002","2375.3","0.3","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","Trihexyphenidylium thiophene-2-carboxylate hemihydrate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium thiophene-2-carboxylate hemihydrate","","- C50 H72 N2 O7 S2 -","- C50 H72 N2 O7 S2 -","- C100 H144 N4 O14 S4 -","2","1","VM2286","Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structures of four organic salts of trihexyphenidyl at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005960","","","0.71073","MoKα","","0.0617","0.0421","","","0.091","0.1014","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","285218","2023-07-15","01:47:17",""
"2022820","7.185","0.0006","18.1117","0.0014","10.5206","0.0008","90","","93.579","0.002","90","","1366.4","0.19","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hexapotassium tetracarbonatozincate(II)","","- C4 K6 O12 Zn -","- C4 K6 O12 Zn -","- C16 K24 O48 Zn4 -","4","0.5","PK2691","Eder, Felix; Weil, Matthias","Crystal structure of K6[Zn(CO3)4]","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006072","","","0.71073","MoKα","","0.0838","0.0402","","","0.0612","0.0715","","","","","","0.981","","","","has coordinates,has Fobs","285219","2023-07-15","01:47:55",""
"2022821","5.84787","0.00005","12.18109","0.00009","16.24568","0.00015","90","","90","","90","","1157.24","0.017","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(2,4-Dimethylfuran-3-yl)-3-phenylprop-2-en-1-one","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","VM2287","Khalilov, Ali N.; Khrustalev, Victor N.; Samigullina, Aida I.; Akkurt, Mehmet; Rzayev, Rovnag M.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-dimethylfuran-3-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006084","","","1.54184","CuKα","","0.0302","0.0299","","","0.0802","0.0806","","","","","","1.058","","","","has coordinates,has Fobs","285220","2023-07-15","01:48:24",""
"2022822","10.4951","0.0004","14.1401","0.0005","16.9249","0.0006","90","","106.378","0.008","90","","2409.77","0.18","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(acetonitrile-κ<i>N</i>)(μ~3~-7-{[bis(pyridin-2-ylmethyl)amino]methyl}-8-hydroxyquinoline-5-sulfonato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>':<i>O</i>'')sodium]","","- C24 H22 N5 Na O4 S -","- C24 H22 N5 Na O4 S -","- C96 H88 N20 Na4 O16 S4 -","4","1","YZ2037","Kubono, Koji; Tanaka, Ryoichi; Kashiwagi, Yukiyasu; Tani, Keita; Yokoi, Kunihiko","Crystal structure of poly[(acetonitrile-κN)(μ3-7-{[bis(pyridin-2-ylmethyl)amino]methyl}-8-hydroxyquinoline-5-sulfonato-κ4 N,O:O′:O′′)sodium]","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005959","","","0.71075","MoKα","","0.0706","0.0435","","","0.0932","0.1028","","","","","","1.014","","","","has coordinates,has Fobs","285221","2023-07-15","01:48:47",""
"2022823","7.9588","0.0001","25.984","0.0004","9.5178","0.0002","90","","96.853","0.001","90","","1954.23","0.06","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-{2-[2-(Benzo[<i>b</i>]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide","","- C22 H16 F N O2 S2 -","- C22 H16 F N O2 S2 -","- C88 H64 F4 N4 O8 S8 -","4","1","ZN2029","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006096","","","1.54178","CuKα","","0.0525","0.0415","","","0.1032","0.1152","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","285320","2023-07-22","01:59:03",""
"2022824","9.3517","0.0003","31.7075","0.0011","8.6063","0.0003","90","","115.179","0.002","90","","2309.45","0.14","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-{2-[2-(Benzo[<i>b</i>]thiophen-2-yl)ethenyl]-5-fluorophenyl}-<i>N</i>-(but-2-yn-1-yl)benzenesulfonamide","","- C26 H20 F N O2 S2 -","- C26 H20 F N O2 S2 -","- C104 H80 F4 N4 O8 S8 -","4","1","ZN2029","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006096","","","1.54178","CuKα","","0.1353","0.0659","","","0.1661","0.2324","","","","","","0.998","","","","has coordinates,has Fobs","285320","2023-07-22","01:59:04",""
"2022825","7.4542","0.0001","9.5111","0.0002","16.4378","0.0003","88.838","0.004","81.644","0.001","81.414","0.001","1140.11","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4-Cyano-<i>N</i>-[(4-cyanophenyl)sulfonyl]-<i>N</i>-[2-(5-methylfuran-2-yl)phenyl]benzenesulfonamide","","- C25 H17 N3 O5 S2 -","- C25 H17 N3 O5 S2 -","- C50 H34 N6 O10 S4 -","2","1","TX2071","Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Burkin, Gleb M.; Khrustalev, Victor N.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 4-cyano-N-[(4-cyanophenyl)sulfonyl]-N-[2-(5-methylfuran-2-yl)phenyl]benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006254","","","1.54184","CuKα","","0.0362","0.0355","","","0.0943","0.0949","","","","","","1.076","","","","has coordinates,has Fobs","285321","2023-07-22","01:59:32",""
"2022826","8.5446","0.0006","10.399","0.0007","8.6149","0.0006","90","","116.784","0.002","90","","683.35","0.08","297","2","297.15","","","","","","","","","3","P 1 21 1","P 2yb","4","<i>N</i>-Cyclohexyltryptamine","<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]cyclohexanamine","","- C16 H22 N2 -","- C16 H22 N2 -","- C32 H44 N4 -","2","1","TX2070","Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Cyclohexyltryptamine: freebase, bromide and fumarate","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","752","756","10.1107/S2056989023006217","","","0.71073","MoKα","","0.053","0.0476","","","0.1185","0.1237","","","","","","1.04","","","","has coordinates,has Fobs","285384","2023-07-29","02:02:24",""
"2022827","10.5584","0.0006","7.9266","0.0005","19.4507","0.0013","90","","92.406","0.002","90","","1626.44","0.18","297","2","297.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-Cyclohexyltryptammonium bromide","<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]cyclohexanaminium bromide","","- C16 H23 Br N2 -","- C16 H23 Br N2 -","- C64 H92 Br4 N8 -","4","1","","Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Cyclohexyltryptamine: freebase, bromide and fumarate","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","752","756","10.1107/S2056989023006217","","","0.71073","MoKα","","0.0493","0.0445","","","0.107","0.1087","","","","","","1.224","","","","has coordinates,has Fobs","285384","2023-07-29","02:02:34",""
"2022828","9.2231","0.001","16.1611","0.0016","11.4595","0.0012","90","","99.865","0.004","90","","1682.8","0.3","297","2","297.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-Cyclohexyltryptammonium fumarate","Bis{<i>N</i>-[2-(1<i>H</i>-indol-3-yl)ethyl]cyclohexanaminium} (2<i>E</i>)-but-2-enedioate","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Cyclohexyltryptamine: freebase, bromide and fumarate","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","752","756","10.1107/S2056989023006217","","","0.71073","MoKα","","0.0546","0.0426","","","0.1112","0.1214","","","","","","1.028","","","","has coordinates,has Fobs","285384","2023-07-29","02:02:34",""
"2022829","4.6034","0.0002","15.1542","0.0007","24.1754","0.0009","90","","90","","90","","1686.5","0.12","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>,<i>E</i>)-1,3-(3,4:9,10-Dibenzododeca-1,11-diene-5,7-diyne-1,12-\ diyl)benzene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","PK2689","Watanabe, Hikaru; Sato, Takuma; Sumita, Michiki; Shiroyama, Mei; Sugawara, Daichi; Tokuyama, Tomoki; Okuda, Yasuhiro; Wakamatsu, Kan; Akashi, Haruo; Orita, Akihiro","Synthesis, optical properties and crystal structure of (E,E)-1,3-(3,4:9,10-dibenzododeca-1,11-diene-5,7-diyne-1,12-diyl)benzene","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","757","761","10.1107/S2056989023006187","","x-ray","0.71073","MoKα","","0.0839","0.0578","","","0.1057","0.1149","","","","","","1.03","","","","has coordinates,has Fobs","285385","2023-07-29","02:03:19",""
"2022830","4.4717","0.0001","11.9367","0.0002","20.1382","0.0003","90","","95.689","0.002","90","","1069.63","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>'-[(1<i>E</i>)-(4-Chloro-3-nitrophenyl)methylidene]acetohydrazide","(<i>E</i>)-<i>N</i>'-(4-Chloro-3-nitrobenzylidene)acetohydrazide","","- C9 H8 Cl N3 O3 -","- C9 H8 Cl N3 O3 -","- C36 H32 Cl4 N12 O12 -","4","1","JQ2029","Nasr, Tamer; Kariuki, Benson M.; Elansary, Mai M.; Elhaggar, Radwan; Zaghary, Wafaa","Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitrobenzylidene)acetohydrazide and (E)-2-(4-chlorobenzylidene)-1-(quinolin-8-yl)hydrazine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","762","766","10.1107/S2056989023006412","","","1.54184","CuKα","","0.0403","0.0383","","","0.1083","0.1111","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","285386","2023-07-29","02:03:56",""
"2022831","7.7968","0.0003","12.0926","0.0004","14.8738","0.0005","90","","100.601","0.003","90","","1378.42","0.08","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","8-{(<i>E</i>)-2-[(4-Chlorophenyl)methylidene]hydrazin-1-yl}quinoline","(<i>E</i>)-2-(4-Chlorobenzylidene)-1-(quinolin-8-yl)hydrazine","","- C16 H12 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","2","JQ2029","Nasr, Tamer; Kariuki, Benson M.; Elansary, Mai M.; Elhaggar, Radwan; Zaghary, Wafaa","Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitrobenzylidene)acetohydrazide and (E)-2-(4-chlorobenzylidene)-1-(quinolin-8-yl)hydrazine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","762","766","10.1107/S2056989023006412","","","1.54184","CuKα","","0.0344","0.0314","","","0.0809","0.0847","","","","","","1.039","","","","has coordinates,has Fobs","285386","2023-07-29","02:03:56",""
"2022833","12.6692","0.0004","7.0967","0.0003","22.3413","0.0009","90","","103.022","0.004","90","","1957.04","0.13","100","0.1","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(Carboxymethyl)triethylazanium bromide–2-(triethylazaniumyl)acetate (1/1)","","- C16 H35 Br N2 O4 -","- C16 H35 Br N2 O4 -","- C64 H140 Br4 N8 O16 -","4","0.5","WM5689","Carlson, Faith M.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of a (carboxymethyl)triethylazanium bromide–2-(triethylazaniumyl)acetate (1/1) hydrogen-bonded dimer","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023006850","","","1.54184","CuKα","","0.0447","0.0396","","","0.1042","0.1086","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","285640","2023-08-12","01:54:29",""
"2022837","16.754","0.003","7.0021","0.0012","22.103","0.004","90","","106.522","0.006","90","","2485.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2,2'-bipyridineκ^2^<i>N</i>,<i>N</i>')bis(3-methylbenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-copper(II) 0.68-hydrate,","","- C26 H25.36 Cu N2 O5.68 -","- C26 H25.36 Cu N2 O5.68 -","- C104 H101.44 Cu4 N8 O22.72 -","4","1","DJ2063","Qadir, Adnan","Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methylbenzoate and 2,2′-bipyridine ligands","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023006904","","","0.71073","MoKα","","0.0604","0.0419","","","0.094","0.1056","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","285785","2023-08-16","01:52:54",""
"2022838","6.3279","0.0004","7.7816","0.0006","14.1342","0.001","77.191","0.003","83.66","0.003","67.86","0.002","628.35","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-5-{(1<i>E</i>)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-thiazol-3-ium chloride monohydrate","","- C7 H14 Cl N5 O S2 -","- C7 H14 Cl N5 O S2 -","- C14 H28 Cl2 N10 O2 S4 -","2","1","WM5691","Huseynov, Elnur Z.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Naghiyev, Farid N.; Asadov, Khammed A.; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of 2-amino-5-{(1E)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-thiazol-3-ium chloride monohydrate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007090","","","0.71073","MoKα","","0.0524","0.0357","","","0.1016","0.1146","","","","","","1.046","","","","has coordinates,has Fobs","285800","2023-08-17","01:47:37",""
"2022839","10.0987","0.0003","12.2744","0.0004","12.4842","0.0005","99.448","0.003","110.701","0.003","100.696","0.003","1377.27","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","3-(Bromomethyl)-2-[1,2-dibromo-2-(6-nitrobenzo[<i>d</i>][1,3]dioxol-5-yl)ethyl]-1-(phenylsulfonyl)-1<i>H</i>-indole chloroform 0.585-solvate","","- C24.58 H17.58 Br3 Cl1.75 N2 O6 S -","- C24.585 H17.585 Br3 Cl1.755 N2 O6 S -","- C49.17 H35.17 Br6 Cl3.51 N4 O12 S2 -","2","1","HB8071","Achyuta, Nagaraj; Kanagasabai, Somarathinam; Vinayagam, Pavunkumar; Mohanakrishnan, Arasambattu K.; Gautham, Namasivayam; Gunasekaran, Krishnasamy","Crystal structure and Hirshfeld surface analysis of 3-(bromomethyl)-2-[1,2-dibromo-2-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethyl]-1-(phenylsulfonyl)-1H-indole chloroform 0.585-solvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007120","","x-ray","1.54184","CuKα","","0.0493","0.0437","","","0.1271","0.1336","","","","","","1.07","","","","has coordinates,has Fobs","285801","2023-08-17","01:48:36",""
"2022840","16.0139","0.0008","8.2743","0.0004","8.5596","0.0004","90","","96.484","0.001","90","","1126.92","0.09","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Methoxy-3,4,5,6-tetrahydro-1<i>H</i>-benzo[<i>b</i>]azonine-2,7-dione","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","DX2054","Flores, Maritza J.; Mai, Brandon; Tanski, Joseph M.","Spectroscopic, crystallographic, and Hirshfeld surface characterization of nine-membered-ring-containing 9-methoxy-3,4,5,6-tetrahydro-1H-benzo[b]azonine-2,7-dione and its parent tetrahydrocarbazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007259","","x-ray","0.71073","MoKα","","0.0559","0.0401","","","0.0997","0.1099","","","","","","1.044","","","","has coordinates,has Fobs","285854","2023-08-24","01:43:33",""
"2022841","20.513","0.002","5.6374","0.0006","18.783","0.002","90","","100.757","0.002","90","","2133.9","0.4","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methoxy-1,2,3,4-tetrahydrocarbazole","","- C13 H15 N O -","- C13 H15 N O -","- C104 H120 N8 O8 -","8","1","DX2054","Flores, Maritza J.; Mai, Brandon; Tanski, Joseph M.","Spectroscopic, crystallographic, and Hirshfeld surface characterization of nine-membered-ring-containing 9-methoxy-3,4,5,6-tetrahydro-1H-benzo[b]azonine-2,7-dione and its parent tetrahydrocarbazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007259","","x-ray","0.71073","MoKα","","0.054","0.0415","","","0.1082","0.1166","","","","","","1.032","","","","has coordinates,has Fobs","285854","2023-08-24","01:43:34",""
"2022842","15.4317","0.0003","17.2945","0.0003","7.98733","0.00015","90","","90","","90","","2131.69","0.07","199.95","0.1","199.95","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","(1,4,8,11-Tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) tetraiodidocadmate(II)","","- C10 H24 Cd I4 N4 Ni -","- C10 H24 Cd I4 N4 Ni -","- C40 H96 Cd4 I16 N16 Ni4 -","4","0.5","EX2074","Andriichuk, Irina L.; Shova, Sergiu; Lampeka, Yaroslaw D.","Crystal structures of the complexes containing macrocyclic cations [M(cyclam)]2+ (M = Ni, Zn) and tetraiodidocadmate(2–) anion","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007004","","x-ray","0.71073","MoKα","","0.0429","0.0314","","","0.0586","0.0636","","","","","","1.062","","","","has coordinates,has Fobs","285855","2023-08-24","01:44:15",""
"2022843","15.6013","0.0003","17.2644","0.0003","8.1099","0.0002","90","","90","","90","","2184.38","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Triiodido-1κ^3^<i>I</i>-μ-iodido-(1,4,8,11-tetraazacyclotetradecane-2κ^4^<i>N</i>)cadmium(II)zinc(II)","","- C10 H24 Cd I4 N4 Zn -","- C10 H24 Cd I4 N4 Zn -","- C40 H96 Cd4 I16 N16 Zn4 -","4","0.5","EX2074","Andriichuk, Irina L.; Shova, Sergiu; Lampeka, Yaroslaw D.","Crystal structures of the complexes containing macrocyclic cations [M(cyclam)]2+ (M = Ni, Zn) and tetraiodidocadmate(2–) anion","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007004","","x-ray","0.71073","MoKα","","0.0445","0.0323","","","0.0597","0.0648","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","285855","2023-08-24","01:44:16",""
"2022844","9.6493","0.0007","13.0873","0.0008","10.4634","0.0007","90","","117.188","0.002","90","","1175.36","0.14","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(Dimethylazaniumyl)-2-hydroxyanilinium dichloride monohydrate","","- C8 H16 Cl2 N2 O2 -","- C8 H16 Cl2 N2 O2 -","- C32 H64 Cl8 N8 O8 -","4","1","VM2289","Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Divakara, Thayamma R.; Geetha, Doreswamy; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure studies and Hirshfeld surface analysis of 4-(dimethylazaniumyl)-2-hydroxyanilinium dichloride monohydrate at 90 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007223","","","0.71073","MoKα","","0.0233","0.021","","","0.0616","0.0632","","","","","","1.126","","","","has coordinates,has Fobs","285856","2023-08-24","01:44:46",""
"2022845","18.8065","0.001","10.0745","0.0006","28.847","0.003","90","","90","","90","","5465.5","0.7","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Dimethoxypyrimidyltennimide","3,11,19,27-Tetrakis(4,6-dimethoxypyrimidin-2-yl)-3,11,19,27,33,34,35,36-\ octaazapentacyclo[27.3.1.1^5,9^.1^13,17^.1^21,25^]hexatriaconta-\ 1(33),5,7,9(36),13(35),14,16,21(34),22,24,29,31-dodecaen-\ 2,4,10,12,18,20,26,28-octone 0.167-hydrate","","- C52 H40.33 N16 O16.17 -","- C52 H40.334 N16 O16.167 -","- C208 H161.336 N64 O64.668 -","4","0.5","EX2073","Mocilac, Pavle; Pohl, Fabian; Gallagher, John F.","The unusual (syn-/anti-)2 conformation of a dimethoxypyrimidyl-based tennimide","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023006837","","","1.54184","CuKα","","0.0819","0.0543","","","0.1353","0.1592","","","","","","1.034","","","","has coordinates,has Fobs","285857","2023-08-24","01:45:18",""
"2022846","8.9714","0.0002","9.3564","0.0003","10.4969","0.0002","94.088","0.002","105.954","0.002","107.393","0.002","797.05","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-{[5-(Methylsulfanyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]methyl}benzo[<i>d</i>]thiazole","","- C17 H14 N4 S2 -","- C17 H14 N4 S2 -","- C34 H28 N8 S4 -","2","1","YZ2038","Azzam, Rasha A.; Elgemeie, Galal H.; Elboshi, Heba A.; Jones, Peter G.","Crystal structure of 2-{[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzo[d]thiazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023007041","","x-ray","0.71073","MoKα","","0.0322","0.028","","","0.0835","0.0862","","","","","","1.044","","","","has coordinates,has Fobs","285858","2023-08-24","01:45:49",""
"2022848","25.0497","0.0003","9.8428","0.0001","16.7577","0.0002","90","","94.534","0.001","90","","4118.83","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-aminobenzoxazole-κ<i>N</i>^3^)bis(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)","","- C18 H18 Cd N4 O6 -","- C18 H18 Cd N4 O6 -","- C144 H144 Cd8 N32 O48 -","8","1","JY2035","Razzoqova, Surayyo; Ibragimov, Aziz; Torambetov, Batirbay; Kadirova, Shakhnoza; Holczbauer, Tamas; Ashurov, Jamshid; Ibragimov, Bakhtiyar","Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","862","866","10.1107/S2056989023007399","","x-ray","1.54184","CuKα","","0.0347","0.0297","","","0.0748","0.0784","","","","","","1.047","","","","has coordinates,has Fobs","285923","2023-08-31","02:01:13",""
"2022849","7.52646","0.00006","13.40703","0.00012","12.65801","0.00011","90","","92.8635","0.0008","90","","1275.69","0.019","566.15","","566.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Azaniumylquinolinium tetrachloridozincate(II)","","- C9 H10 Cl4 N2 Zn -","- C9 H10 Cl4 N2 Zn -","- C36 H40 Cl16 N8 Zn4 -","4","1","WM5692","Umirova, Gulnora A.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Kasimov, Sherzod A.; Djalilov, Abdulakhat T.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M.","Crystal structure and Hirshfeld surface analysis of 8-azaniumylquinolinium tetrachloridozincate(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","856","861","10.1107/S2056989023007466","","x-ray","1.54184","CuKα","","0.0243","0.0231","","","0.0639","0.0647","","","","","","1.064","","","","has coordinates,has Fobs","285924","2023-08-31","02:01:43",""
"2022850","3.942","","11.5915","0.0002","28.0387","0.0004","90","","90","","90","","1281.19","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-1-(4-Bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","TX2073","Akkurt, Mehmet; Naghiyev, Farid N.; Khrustalev, Victor N.; Asadov, Khammed A.; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","847","851","10.1107/S2056989023007387","","","1.54184","CuKα","","0.0219","0.0215","","","0.0522","0.0524","","","","","","1.143","","","","has coordinates,has Fobs","285925","2023-08-31","02:02:19",""
"2022851","9.759","0.0001","11.7951","0.0002","16.7553","0.0002","90","","90","","90","","1928.68","0.04","183.15","","183.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-Deoxyguanosine dimethyl sulfoxide disolvate","","- C14 H25 N5 O6 S2 -","- C14 H25 N5 O6 S2 -","- C56 H100 N20 O24 S8 -","4","1","ZV2028","Spingler, Bernhard","Crystal structure of the nucleoside 2′-deoxyguanosine dimethyl sulfoxide disolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","852","855","10.1107/S2056989023007405","","","0.71073","MoKα","","0.0355","0.0304","","","0.0717","0.0729","","","","","","1.009","","","","has coordinates,has Fobs","285926","2023-08-31","02:02:46",""
"2022852","12.7698","0.0016","14.9212","0.0018","7.1087","0.0008","90","","90","","90","","1354.5","0.3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 2-(2-oxo-2<i>H</i>-chromen-4-yl)benzoate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","MW2198","Hollauer, Henrique V. P.; Vilas Novas, Rachel C.; Guedes, Guilherme P.; Buarque, Camilla D.; Escobar, Lívia B. L.","Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","842","846","10.1107/S2056989023007351","","","0.71073","MoKα","","0.0741","0.0658","","","0.1539","0.1584","","","","","","1.079","","","","has coordinates,has Fobs","285927","2023-08-31","02:03:11",""
"2022853","6.7445","0.0015","13.498","0.003","8.01","0.002","90","","94.421","0.007","90","","727","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one","","- C6 H8 N2 O S -","- C6 H8 N2 O S -","- C24 H32 N8 O4 S4 -","4","1","VM2288","Huseynov, Elnur Z.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Rzayev, Rovnag M.; Asadov, Khammed A.; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007181","","","0.71073","MoKα","","0.1025","0.0496","","","0.1161","0.1416","","","","","","1.041","","","","has coordinates,has Fobs","286282","2023-09-09","01:35:50",""
"2022854","8.8072","0.0012","17.795","0.002","16.222","0.002","90","","91.317","0.009","90","","2541.7","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","","- C32 H28 F2 N2 O2 -","- C32 H28 F2 N2 O2 -","- C128 H112 F8 N8 O8 -","4","2","HB8074","Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K.","Synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of ethyl 1-(4-fluorophenyl)-4-[(4-fluorophenyl)amino]-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S205698902300748X","","","0.71073","MoKα","","0.147","0.1177","","","0.297","0.3238","","","","","","1.167","","","","has coordinates,has Fobs","286283","2023-09-09","01:36:18",""
"2022855","6.5899","0.0001","17.9658","0.0002","11.9444","0.0001","90","","96.131","0.001","90","","1406.04","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis(3-cyanopyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)\ cobalt(II)","","- C26 H16 Co N10 O4 S2 -","- C26 H16 Co N10 O4 S2 -","- C52 H32 Co2 N20 O8 S4 -","2","0.5","HB8070","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal behavior of tetrakis(3-cyanopyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II), which shows strong pseudosymmetry","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023006862","","x-ray","1.54184","CuKα","","0.0278","0.0266","","","0.0819","0.0827","","","","","","1.113","","","","has coordinates,has Fobs","286284","2023-09-09","01:36:43",""
"2022856","6.6935","0.0001","7.2024","0.0001","12.7978","0.0002","90","","90","","90","","616.973","0.016","100","2","100","0.1","","","","","","","","5","I m m a","-I 2b 2","74","","<i>catena</i>-poly[cobalt(II)-di-μ-chlorido-μ-pyridazine-κ^2^<i>N</i>^1^:<i>N</i>^2^]","","- C4 H4 Cl2 Co N2 -","- C4 H4 Cl2 Co N2 -","- C16 H16 Cl8 Co4 N8 -","4","0.25","HB8073","Näther, Christian; Jess, Inke","Synthesis and crystal structure of catena-poly[cobalt(II)-di-μ-chlorido-μ-pyridazine-κ2 N 1:N 2]","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007065","","x-ray","1.54184","CuKα","","0.0206","0.0203","","","0.0575","0.0577","","","","","","1.068","","","","has coordinates,has Fobs","286285","2023-09-09","01:37:06",""
"2022858","14.4848","0.0003","12.5663","0.0002","15.2708","0.0003","90","","116.424","0.001","90","","2489.2","0.08","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Ethoxy-1-ethyl-6-nitroquinoxalin-2(1<i>H</i>)-one","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C96 H104 N24 O32 -","8","2","HB8072","Yousra, Seqqat; El Ghayati, Lhoussaine; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure and Hirshfeld surface analysis of 3-ethoxy-1-ethyl-6-nitroquinoxalin-2(1H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007624","","","1.54178","CuKα","","0.0553","0.0473","","","0.126","0.1374","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","286287","2023-09-09","01:38:15",""
"2022859","7.45681","0.00013","8.41737","0.0001","12.8928","0.0002","74.0382","0.0012","73.7634","0.0014","72.7034","0.0013","725.4","0.02","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","3-(4-Fluorophenyl)-2-formyl-7-methylimidazo[1,2-<i>a</i>]pyridin-1-ium chloride monohydrate","","- C15 H14 Cl F N2 O2 -","- C15 H14 Cl F N2 O2 -","- C30 H28 Cl2 F2 N4 O4 -","2","1","JY2034","Guseinov, Firudin I.; Ovsyannikov, Viacheslav O.; Sokolovskiy, Pavel V.; Sebyakin, Yurii L.; Samigullina, Aida I.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluorophenyl)-2-formyl-7-methylimidazo[1,2-a]pyridin-1-ium chloride monohydrate","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007272","","x-ray","1.54184","CuKα","","0.0338","0.0334","","","0.0855","0.0858","","","","","","1.028","","","","has coordinates,has Fobs","286318","2023-09-13","01:44:55",""
"2022860","7.44","0.0008","9.92","0.001","11.52","0.0013","93.071","0.009","105.349","0.01","108.879","0.011","766.71","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-Azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2<i>H</i>-1,2,3-triazole","","- C16 H13 N7 O2 -","- C16 H13 N7 O2 -","- C32 H26 N14 O4 -","2","1","ZN2031","Maharramov, Abel; Shikhaliyev, Namiq Q.; Abdullayeva, Afaq; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Gahramanova, Shahnaz I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2H-1,2,3-triazole","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007855","","","0.79313","synchrotron","","0.0529","0.0463","","","0.1274","0.1333","","","","","","1.08","","","","has coordinates,has Fobs","286350","2023-09-15","01:44:40",""
"2022861","11.4047","0.0009","7.1107","0.0003","16.8997","0.0013","90","","107.009","0.008","90","","1310.54","0.16","100","0.12","100","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-Dibromo-3,4,5-trimethoxybenzoic acid","2,6-Dibromo-3,4,5-trimethoxybenzoic acid","","- C10 H10 Br2 O5 -","- C10 H10 Br2 O5 -","- C40 H40 Br8 O20 -","4","1","JY2033","Meurer, Florian; Dimova, Tanya; Bodensteiner, Michael; Kolev, Iliyan","2,6-Dibromo-3,4,5-trimethoxybenzoic acid","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007831","","x-ray","0.71073","MoKα","","0.0875","0.0528","","","0.1066","0.1231","","","","","","1.0578","","","","has coordinates,has Fobs","286351","2023-09-15","01:45:16",""
"2022862","8.4573","0.0001","23.5853","0.0003","11.0072","0.0001","90","","111.749","0.002","90","","2039.29","0.05","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2<i>Z</i>,2'<i>E</i>)-2,2'-(3-Methoxy-3-phenylpropane-1,2-diylidene)bis(2-methylhydrazine-1-carbothioamide) dimethylformamide monosolvate","","- C15 H23 N7 O2 S2 -","- C15 H23 N7 O2 S2 -","- C60 H92 N28 O8 S8 -","4","1","YZ2041","Guseinov, Firudin I.; Knyazev, Aleksandr V.; Shuvalova, Elena V.; Kobrakov, Konstantin I.; Samigullina, Aida I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007946","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0874","0.0877","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","286352","2023-09-15","01:45:44",""
"2022863","5.6","0.3","9.6","0.3","28.2","0.3","90","","90.3","0.09","90","","1516","10","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","quabodepistat-2,5-dihydroxybenzoicacid","5-{[(3<i>R</i>,4<i>R</i>)-1-(4-Chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy}-8-fluoro-3,4-dihydroquinolin-2(1<i>H</i>)-one–2,5-dihydroxybenzoic acid (1/1)","","- C28 H26 Cl F3 N2 O8 -","- C28 H26 Cl F3 N2 O8 -","- C56 H52 Cl2 F6 N4 O16 -","2","1","DJ2052","Sakamoto, Nasa; Gato, Katsuhiko","Crystal structure of a 1:1 co-crystal of quabodepistat (OPC-167832) with 2,5-dihydroxybenzoic acid using microcrystal electron diffraction","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023006047","","","0.0251","electron","","0.2455","0.1602","","","0.4121","0.4803","","","","","","1.075","","","","has coordinates","286428","2023-09-20","01:48:31",""
"2022864","4.1205","0.0005","4.1205","0.0005","4.1205","0.0005","90","","90","","90","","69.96","0.015","293","","293","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Silicon pernitride","","- N2 Si -","- N2 Si -","- N8 Si4 -","4","0.166667","WM5694","Jurzick, Pascal L.; Krach, Georg; Brüning, Lukas; Schnick, Wolfgang; Bykov, Maxim","Synthesis and crystal structure of silicon pernitride SiN2 at 140 GPa","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023008058","","x-ray","0.28457","synchrotron","","0.1285","0.0706","","","0.1601","0.1907","","","","","","1.072","","","","has coordinates,has Fobs","286429","2023-09-20","01:48:57",""
"2022865","17.349","0.008","6.894","0.003","12.173","0.005","90","","92.878","0.012","90","","1454.1","1.1","110.15","","110.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Ferrocenyl-1-(pyridin-2-yl)-1<i>H</i>-pyrazol-5-amine","","- C18 H16 Fe N4 -","- C18 H16 Fe N4 -","- C72 H64 Fe4 N16 -","4","1","WM5693","Joekar, Delara; Hiscock, Lana K.; Dawe, Louise N.","Synthesis, crystal structure, and Hirshfeld surface analysis of 3-ferrocenyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023008101","","","0.71073","MoKα","","0.0607","0.0355","","","0.0687","0.078","","","","","","1.015","","","","has coordinates,has Fobs","286430","2023-09-20","01:49:34",""
"2022934","8.3265","0.0003","14.9699","0.0005","13.9523","0.0004","90","","99.242","0.001","90","","1716.53","0.1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Bis(pyridin-2-yl-κ<i>N</i>)amine](formato-κ<i>O</i>)(<i>m</i>-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C18 H15 Cu N3 O5 -","- C18 H15 Cu N3 O5 -","- C72 H60 Cu4 N12 O20 -","4","1","WM5700","Chaisuriya, Wanassanan; Chainok, Kittipong; Wannarit, Nanthawat","Crystal structure and Hirshfeld surface analysis of a new mononuclear copper(II) complex: [bis(pyridin-2-yl-κN)amine](formato-κO)(m-hydroxybenzoato-κ2 O,O′)copper(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1115","1120","10.1107/S2056989023009234","","x-ray","0.71073","MoKα","","0.0891","0.0455","","","0.096","0.1148","","","","","","1.012","","","","has coordinates,has Fobs","288937","2024-01-07","11:49:33",""
"2022935","5.96605","0.00017","5.13977","0.00012","9.9308","0.0003","90","","107.275","0.003","90","","290.783","0.015","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Calcium hexafluoridosilicate dihydrate","","- Ca F6 H4 O2 Si -","- Ca F6 H4 O2 Si -","- Ca2 F12 H8 O4 Si2 -","2","0.5","HB8080","Motaln, Klemen; Lozinšek, Matic","Crystal structure of CaSiF6·2H2O(mP2) and reevaluation of the SiIV–F bond-valence parameter R 0","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1121","1126","10.1107/S2056989023009349","","x-ray","1.54184","CuKα","","0.025","0.0247","","","0.0691","0.0696","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","288944","2024-01-07","11:50:52",""
"2022936","11.9879","0.0007","12.1807","0.0007","15.4518","0.0009","90","","90","","90","","2256.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Isobutyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C96 H116 F8 N4 O16 -","4","1","EV2001","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Synthesis, characterization, crystal structure and Hirshfeld surface analysis of isobutyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1132","1136","10.1107/S2056989023009623","","","0.71073","MoKα","","0.0838","0.0453","","","0.0947","0.1074","","","","","","1.027","","","","has coordinates,has Fobs","288939","2024-01-07","11:49:57",""
"2022937","16.3178","0.0004","9.2747","0.0002","14.872","0.0004","90","","93.771","0.001","90","","2245.9","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-Hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1<i>H</i>-9-thia-2-azacyclopenta[<i>b</i>]fluorene-4-carboxylic acid dimethyl sulfoxide-<i>d</i>~6~ monosolvate","","- C24 H19 D6 N O6 S2 -","- C24 H19 D6 N O6 S2 -","- C96 H76 D24 N4 O24 S8 -","4","1","TX2077","Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Erokhin, Pavel P.; Grigoriev, Mikhail S.; Atioğlu, Zeliha; Azizova, Asmet N.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 10-hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1H-9-thia-2-azacyclopenta[b]fluorene-4-carboxylic acid dimethyl sulfoxide-d 6 monosolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1127","1131","10.1107/S2056989023009635","","","0.71073","MoKα","","0.0586","0.0492","","","0.1233","0.1292","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","288947","2024-01-07","11:51:25",""
"2022938","9.58785","0.00004","16.83642","0.00008","19.55978","0.0001","90","","103.732","0.0005","90","","3067.19","0.03","99.9","0.6","99.9","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyridine-2,6-diol","6-Hydroxy-1,2-dihydropyridin-2-one","","- C30 H30 N6 O12 -","- C30 H30 N6 O12 -","- C120 H120 N24 O48 -","4","1","JY2036","Phillips, Sara K.; Brancato, Savannah G.; MacMillan, Samantha N.; Snider, Mark J.; Roering, Andrew J.; Hicks, Katherine A.","Synthesis and crystallographic characterization of 6-hydroxy-1,2-dihydropyridin-2-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1147","1150","10.1107/S205698902300974X","","x-ray","1.54184","CuKα","","0.0336","0.0318","","","0.0814","0.0828","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","288935","2024-01-07","11:49:14",""
"2022939","13.742","0.0013","8.8912","0.0013","23.114","0.002","90","","94.742","0.004","90","","2814.5","0.5","294","2","294","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(2<i>Z</i>)-3-Oxo-<i>N</i>-phenyl-2-[(1<i>H</i>-pyrrol-2-yl)methylidene]butanamide monohydrate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","VM2291","Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, Ibrahim G.","Crystal structure and Hirshfeld surface analysis of (2Z)-3-oxo-N-phenyl-2-[(1H-pyrrol-2-yl)methylidene]butanamide monohydrate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1142","1146","10.1107/S2056989023009799","","","0.71073","MoKα","","0.0836","0.0411","","","0.0876","0.1085","","","","","","1.046","","","","has coordinates,has Fobs","288941","2024-01-07","11:50:19",""
"2022940","5.0515","0.0002","6.7912","0.0003","8.7083","0.0006","83.585","0.004","79.907","0.004","86.833","0.003","292.09","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[dibromidocadmium(II)]-bis(μ-3-amino-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^3^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^3^]","","- C6 H10 Br2 Cd N6 -","- C6 H10 Br2 Cd N6 -","- C6 H10 Br2 Cd N6 -","1","0.5","TX2078","Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Malinkin, Sergey O.; Shova, Sergiu; Fritsky, Igor O.; Seredyuk, Maksym","Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1151","1154","10.1107/S2056989023009751","","x-ray","1.54184","CuKα","","0.0454","0.0452","","","0.1335","0.1336","","","","","","1.272","","","","has coordinates,has Fobs","288942","2024-01-07","11:50:27",""
"2022941","4.9925","0.0006","12.4283","0.0016","15.0643","0.0019","98.42","0.007","94.302","0.007","91.15","0.006","921.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>S</i>-<i>n</i>-Octyl 3-(1-phenylethylidene)dithiocarbazate","","- C17 H26 N2 S2 -","- C17 H26 N2 S2 -","- C34 H52 N4 S4 -","2","1","ZV2030","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio; Ansary, Md. Rezaul Haque","Crystal structure of S-n-octyl 3-(1-phenylethylidene)dithiocarbazate and of its bis-chelated nickel(II) complex","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1137","1141","10.1107/S2056989023009726","","","0.71075","MoKα","","0.0922","0.0708","","","0.1829","0.1957","","","","","","1.076","","","","has coordinates,has disorder","288945","2024-01-07","11:51:03",""
"2022942","13.6399","0.0003","17.6532","0.0005","16.7596","0.0003","90","","114","0.008","90","","3686.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[<i>S</i>-<i>n</i>-octyl 3-(1-phenylethylidene)dithiocarbazato]nickel(II)","","- C34 H50 N4 Ni S4 -","- C34 H50 N4 Ni S4 -","- C136 H200 N16 Ni4 S16 -","4","1","ZV2030","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio; Ansary, Md. Rezaul Haque","Crystal structure of S-n-octyl 3-(1-phenylethylidene)dithiocarbazate and of its bis-chelated nickel(II) complex","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1137","1141","10.1107/S2056989023009726","","","0.71075","MoKα","","0.0589","0.0416","","","0.0903","0.0963","","","","","","1.039","","","","has coordinates,has Fobs","288945","2024-01-07","11:51:03",""
"2022943","9.1895","0.0007","10.3507","0.0008","21.6887","0.0016","90","","99.644","0.003","90","","2033.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tricadmium orthophosphate","Tricadmium bis(orthophosphate)","","- Cd3 O8 P2 -","- Cd3 O8 P2 -","- Cd36 O96 P24 -","12","3","OO2001","Cherif, Fatima-Zahra; Taibi, Mhamed; Boukhari, Ali; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure reinvestigation and spectroscopic analysis of tricadmium orthophosphate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1155","1160","10.1107/S2056989023009775","","","0.71073","MoKα","","0.0336","0.0232","","","0.0505","0.0535","","","","","","1.074","","","","has coordinates,has Fobs","288946","2024-01-07","11:51:15",""
"2022944","7.74843","0.0001","19.2895","0.0003","10.69753","0.00011","90","","93.3777","0.001","90","","1596.11","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-2-(1<i>H</i>-1,3-benzodiazol-2-yl)phenolato]bis[ethanol(thiocyanato)cobalt(II)]","","- C32 H30 Co2 N6 O4 S2 -","- C32 H30 Co2 N6 O4 S2 -","- C64 H60 Co4 N12 O8 S4 -","2","0.5","EX2078","Orton, James B.; Diouf, Ngone; Gueye, Rokhaya S.; Gaye, Mohamed; Thiam, Ibrahima Elhadji; Coles, Simon J.","Synthesis and crystal structures of two related Co and Mn complexes: a celebration of collaboration between the universities of Dakar and Southampton","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1109","1114","10.1107/S2056989023009805","","x-ray","1.54178","CuKα","","0.0301","0.0286","","","0.0784","0.0793","","","","","","1.083","","","","has coordinates,has Fobs","288936","2024-01-07","11:49:24",""
"2022945","12.412","0.003","12.43","0.004","15.7","0.005","69.021","0.005","86.73","0.006","75.348","0.009","2186.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Bis(2-{1-[(6<i>R</i>,<i>S</i>)-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-<i>N</i>-methylhydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>)palladium(II) ethanol monosolvate","","- C42 H66 N6 O Pd S2 -","- C42 H66 N6 O Pd S2 -","- C84 H132 N12 O2 Pd2 S4 -","2","1","","Melo, Ana Paula Lopes de; Bresolin, Leandro; Tirloni, Bárbara; Farias, Renan Lira de; Oliveira, Adriano Bof de","Synthesis, crystal structure and Hirshfeld analysis of trans-bis(2-{1-[(6R,S)-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamidato-κ2 N 2,S)palladium(II) ethanol monosolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1166","1172","10.1107/S2056989023009908","","x-ray","0.71073","MoKα","","0.0322","0.028","","","0.0664","0.0691","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","288938","2024-01-07","11:49:44",""
"2022946","18.9504","0.0009","5.92161","0.00019","11.3049","0.0005","90","","114.729","0.006","90","","1152.27","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(morpholine-κ<i>N</i>)gold(I) chloride","","- C8 H18 Au Cl N2 O2 -","- C8 H18 Au Cl N2 O2 -","- C32 H72 Au4 Cl4 N8 O8 -","4","0.5","YZ2043","Döring, Cindy; Jones, Peter G.","Crystal structures of the isotypic complexes bis(morpholine)gold(I) chloride and bis(morpholine)gold(I) bromide","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1161","1165","10.1107/S2056989023009702","","","0.71073","MoKα","","0.0217","0.0149","","","0.0239","0.0255","","","","","","1.064","","","","has coordinates,has Fobs","288940","2024-01-07","11:50:07",""
"2022947","18.8719","0.0006","6.0784","0.00017","11.405","0.0004","90","","114.595","0.004","90","","1189.58","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(morpholine-κ<i>N</i>)gold(I) bromide","","- C8 H18 Au Br N2 O2 -","- C8 H18 Au Br N2 O2 -","- C32 H72 Au4 Br4 N8 O8 -","4","0.5","YZ2043","Döring, Cindy; Jones, Peter G.","Crystal structures of the isotypic complexes bis(morpholine)gold(I) chloride and bis(morpholine)gold(I) bromide","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1161","1165","10.1107/S2056989023009702","","","0.71073","MoKα","","0.0188","0.0151","","","0.0247","0.0256","","","","","","1.079","","","","has coordinates,has Fobs","288940","2024-01-07","11:50:07",""
"2022948","10.79412","0.00006","10.79412","0.00006","11.15065","0.00011","90","","90","","90","","1299.2","0.016","100","0.1","100","0.1","","","","","","","","6","P 4 n c","P 4 -2n","104","","Chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)","","- C25 H16 Cl Fe N9 S -","- C25 H16 Cl Fe N9 S -","- C50 H32 Cl2 Fe2 N18 S2 -","2","0.25","NX2002","Müller-Meinhard, Asmus; Jess, Inke; Näther, Christian","Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1173","1178","10.1107/S205698902300988X","","x-ray","1.54184","CuKα","","0.0227","0.0225","","","0.0653","0.0654","","","","","","1.139","","","","has coordinates,has Fobs","288943","2024-01-07","11:50:35",""
"2022949","5.5229","0.0002","11.9579","0.0005","22.5767","0.0009","90","","94.962","0.001","90","","1485.43","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Bis[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazol-2(3<i>H</i>)-one","","- C29 H44 N8 O -","- C29 H44 N8 O -","- C58 H88 N16 O2 -","2","1","HB8081","Zouhair, Mustapha; El Ghayati, Lhoussaine; El Monfalouti, Hanae; Abchihi, Hicham; Hökelek, Tuncer; Ahmed, Mazzah; Mague, Joel T.; Sebbar, Nada Kheira","Synthesis, structure and Hirshfeld surface analysis of 1,3-bis[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-1H-benzo[d]imidazol-2(3H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1179","1182","10.1107/S2056989023009891","","","0.71073","MoKα","","0.0422","0.0356","","","0.086","0.09","","","","","","1.049","","","","has coordinates,has Fobs","288948","2024-01-07","11:51:35",""
"2022950","5.3864","0.0006","18.013","0.002","7.0112","0.0008","90","","96.288","0.004","90","","676.17","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-1-(prop-2-yn-1-yl)pyrimidin-2(1<i>H</i>)-one","","- C7 H7 N3 O -","- C7 H7 N3 O -","- C28 H28 N12 O4 -","4","1","WM5702","Lahyaoui, Mouad; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Hökelek, Tuncer; Mague, Joel T.; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, intermolecular interaction energies, energy frameworks and DFT calculations of 4-amino-1-(prop-2-yn-1-yl)pyrimidin-2(1H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1183","1189","10.1107/S2056989023009933","","","0.71073","MoKα","","0.0452","0.0398","","","0.1089","0.1133","","","","","","1.046","","","","has coordinates,has Fobs","288949","2024-01-07","11:51:48",""
"2022951","21.9709","0.0015","5.1271","0.0004","27.022","0.002","90","","93.633","0.004","90","","3037.8","0.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","2-(Cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one","","- C15 H15 F3 N2 O3 S -","- C15 H15 F3 N2 O3 S -","- C120 H120 F24 N16 O24 S8 -","8","1","VM2292","Richter, Adrian; Goddard, Richard; Imming, Peter; Seidel, Rüdiger W.","Crystal structure and antimycobacterial evaluation of 2-(cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1194","1198","10.1107/S2056989023010137","","","0.71073","MoKα","","0.0587","0.0422","","","0.1036","0.1162","","","","","","1.041","","","","has coordinates,has Fobs","287918","2023-12-01","03:09:02",""
"2022952","12.7712","0.0004","13.6102","0.0004","24.7288","0.0008","98.301","0.003","97.814","0.003","117.051","0.003","3687.5","0.2","103","","103","","","","","","","","","8","P -1","-P 1","2","","Tetrakis{<i>N</i>-[bis(pyrrolidin-1-yl)phosphoryl]acetamidato}bis(propan-2-ol)neodymiumsodium propan-2-ol monosolvate","","- C49 H88 Cl12 N12 Na Nd O11 P4 -","- C49 H88 Cl12 N12 Na Nd O11 P4 -","- C98 H176 Cl24 N24 Na2 Nd2 O22 P8 -","2","1","MW2199","Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Znovjyak, Kateryna O.; Shishkina, Svitlana V.; Amirkhanov, Volodymyr M.","Synthesis, crystal structure and Hirshfeld surface analysis of the tetrakis complex NaNdPyr4(i-PrOH)2·i-PrOH with a carbacylamidophosphate of the amide type","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1218","1222","10.1107/S2056989023010071","","","0.71073","MoKα","","0.0581","0.0466","","","0.1025","0.11","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","287919","2023-12-01","03:09:41",""
"2022953","16.6921","0.0004","16.6921","0.0004","12.4112","0.0004","90","","90","","90","","3458.09","0.16","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","Tetrabutylazanium tetramethylazanium hexa-μ~4~-hydroxido-dodeca-μ~2~-pyrazolato-<i>hexahedro</i>-octanickel","","- C56 H90 N26 Ni8 O6 -","- C56 H90 N26 Ni8 O6 -","- C112 H180 N52 Ni16 O12 -","2","0.0625","XI2028","Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert","An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1199","1206","10.1107/S2056989023010101","","","1.54178","CuKα","","0.0446","0.0435","","","0.1125","0.1133","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","287920","2023-12-01","03:11:00",""
"2022954","30.39","0.0018","14.5762","0.0009","14.5141","0.0009","90","","90","","90","","6429.3","0.7","150","2","150","2","","","","","","","","6","P m n a","-P 2ac 2","53","","Bis(tetrabutylazanium) hexa-μ~4~-hydroxido-dodeca-μ~2~-(4-methylpyrazolato)-<i>hexahedro</i>-octanickel 1,2-dichloroethane 7.196-solvate","","- C94.39 H164.78 Cl14.39 N26 Ni8 O6 -","- C94.392 H164.784 Cl14.392 N26 Ni8 O6 -","- C188.784 H329.568 Cl28.784 N52 Ni16 O12 -","2","0.25","XI2028","Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert","An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1199","1206","10.1107/S2056989023010101","","","1.54178","CuKα","","0.084","0.0812","","","0.2524","0.2542","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","287920","2023-12-01","03:11:01",""
"2022955","13.973","0.008","20.765","0.01","31.873","0.014","99.896","0.017","94.798","0.017","99.1","0.02","8937","8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetrabutylazanium) hexa-μ~4~-hydroxido-dodeca-μ~2~-(4-octylpyrazolato)-<i>hexahedro</i>-octanickel","","- C164 H306 N26 Ni8 O6 -","- C164 H306 N26 Ni8 O6 -","- C328 H612 N52 Ni16 O12 -","2","1","XI2028","Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert","An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1199","1206","10.1107/S2056989023010101","","","1.54178","CuKα","","0.0947","0.0659","","","0.1624","0.1849","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","287920","2023-12-01","03:11:01",""
"2022956","12.364","0.007","11.148","0.005","13.898","0.007","90","","96.5","0.019","90","","1903.3","1.7","303","2","303","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4-diazepane","2,7-Bis(4-chlorophenyl)-3,3-dimethyl-1,4-diazepan-5-one","","- C19 H20 Cl2 N2 O -","- C19 H20 Cl2 N2 O -","- C76 H80 Cl8 N8 O4 -","4","1","JW2001","Akila, Shanmugasundaram; Vidhyasagar, Thankakan; Winfred Jebaraj, John Peter; Thiruvalluvar, Aravazhi Amalan; Rajeswari, Krishnan","Synthesis, crystal structure and computational analysis of 2,7-bis(4-chlorophenyl)-3,3-dimethyl-1,4-diazepan-5-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1212","1217","10.1107/S2056989023010162","","","0.71073","MoKα","","0.0902","0.0487","","","0.1046","0.1275","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","287921","2023-12-01","03:11:46",""
"2022957","23.5743","0.0002","7.7286","0.0001","19.726","0.0002","90","","103.858","0.001","90","","3489.39","0.07","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(benzene-1,2-diamine-κ<i>N</i>)cadmium(II) naphthalene-1,5-disulfonate","","- C34 H38 Cd N8 O6 S2 -","- C34 H38 Cd N8 O6 S2 -","- C136 H152 Cd4 N32 O24 S8 -","4","0.5","DJ2067","Suyunov, Jabbor; Torambetov, Batirbay; Turaev, Khayit; Kadirova, Shakhnoza; Alimnazarov, Bekmurod; Ashurov, Jamshid","Synthesis, crystal structure and Hirshfeld surface analysis of a cadmium complex of naphthalene-1,5-disulfonate and o-phenylenediamine","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1190","1193","10.1107/S2056989023010125","","x-ray","1.54184","CuKα","","0.023","0.0225","","","0.0602","0.0605","","","","","","1.04","","","","has coordinates,has Fobs","287922","2023-12-01","03:12:17",""
"2022958","5.3854","0.0013","5.3676","0.0013","17.051","0.004","90","","90","","90","","492.9","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Dioxidodibismuth(III) hydroxide nitrate","","- Bi2 H N O6 -","- Bi2 N O6 -","- Bi8 N4 O24 -","4","1","HB8084","Weil, Matthias; Missen, Owen P.; Mills, Stuart J.","Dimorphism of [Bi2O2(OH)](NO3) – the ordered Pna21 structure at 100 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1223","1227","10.1107/S205698902301023X","","","0.71073","MoKα","","0.038","0.0298","","","0.055","0.0574","","","","","","0.984","","","","has coordinates,has Fobs","287923","2023-12-01","03:12:50",""