# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-09T18:12:31+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 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
"1100118","8.493","0.0008","8.932","0.001","13.434","0.002","90","","97.141","0.008","90","","1011.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate","","- C10 H36 Al2 F10 N4 O4 -","- C10 H36 Al2 F10 N4 O4 -","- C20 H72 Al4 F20 N8 O8 -","2","0.5","","E. Goreshnik; M. Leblanc; V. Maisonneuve","1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate","Acta Crystallographica, Section E","2003","59","11","m1059","m1061","10.1107/S1600536803023699","","","0.71069","MoKα","","0.1639","0.0632","","","0.1198","0.1508","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100119","7.6996","0.0016","8.838","0.002","12.197","0.004","105.87","0.02","97.74","0.03","106.317","0.015","745.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[HN(CH2CH2NH3)3].(Al2F10).H2O","","","- C6 H24 Al2 F10 N4 O -","- C6 H24 Al2 F10 N4 O -","- C12 H48 Al4 F20 N8 O2 -","2","1","","K. Adil; M. Leblanc; V. Maisonneuve","[H~4~tren].(Al~2~F~10~).H~2~O","Acta Crystallographica, Section E","2004","60","10","m1379","m1381","10.1107/S1600536804020203","","","0.71069","MoKα","","0.0749","0.0432","","","0.1075","0.1233","","","","","","1.053","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100133","7.119","0.008","11.532","0.006","12.49","0.007","107.14","0.05","95.43","0.07","92.03","0.06","973.3","1.3","280","2","280","2","","","","","","","","5","P -1","-P 1","2","Bis(p-toluidinium) tetrachlorozincate(II)","Bis(p-toluidinium) tetrachlorozincate(II)","","- C14 H20 Cl4 N2 Zn -","- C14 H20 Cl4 N2 Zn -","- C28 H40 Cl8 N4 Zn2 -","2","1","","Rademeyer, M.","Bis(p-toluidinium) tetrachlorozincate(II)","Acta Crystallographica Section E","2005","61","","m304","m306","10.1107/S1600536805000747","","","0.71073","MoKα","","0.0789","0.0436","","","0.094","0.106","","","","","","0.895","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100172","10.432","0.0003","5.645","0.0002","16.783","0.0002","90","","94.943","0.003","90","","984.65","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Phynylglycinium nitrate","D-Phenylglycinium nitrate","","- C8 H10 N2 O5 -","- C8 H10 N2 O5 -","- C32 H40 N8 O20 -","4","2","","Bouchouit, Karim; Bendheif, Leulmi; Benali-Cherif, Nouredine","D-Phenylglycinium nitrate","Acta Crystallographica, Section E","2004","60","","o272","o274","10.1107/S1600536804000972","","","0.71073","MoKα","","0.0858","0.0563","","","0.116","0.1381","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100263","14.684","0.006","9.355","0.001","22.515","0.009","90","","101.68","0.02","90","","3028.82","","","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,3-Diethyl-5-diisopropylamino-2-(2,4-dimethyl-3-(t-butyl-dimethylsilyloxy)-pe ntyliden)-4-oxonia-3-borata-2,3-dihydrofuran","","- C25 H52 B N O3 Si -","- C28 H60 B N O3 Si -","- C112 H240 B4 N4 O12 Si4 -","4","1","","Kocienski, P.; Marsch, M.; Harms, K.; Boche, G.","A vinylic α-carbamoyloxy boran with a carbenoid-type bonding situation","Acta Crystallographica Section E","2002","58","3","o336","o337","10.1107/S1600536802003215","","","","","","","5.89","","","5.89","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101077","8.2437","0.0002","8.2437","0.0002","8.2437","0.0002","90","","90","","90","","560.23","0.02","295","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Li O4 V2 -","- Li O4 V2 -","- Li8 O32 V16 -","8","0.0416667","MG6039","Matsushita, Yoshitaka; Yamaura, Jun-Ichi; Ueda, Yutaka","Lithium divanadate spinel, LiV~2~O~4~","Acta Crystallographica, Section E","2005","61","8","i137","i139","10.1107/S1600536805020155","","","0.71073","MoKα","","","0.0261","","","","0.0762","","","","","","0.845","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1544027","13.538","0.004","5.123","0.0018","30.167","0.01","90","","95.968","0.009","90","","2080.9","1.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(3-Chlorothiophene-2-carboxylic acid); 4,4'-bipyridine","","- C20 H14 Cl2 N2 O4 S2 -","- C20 H14 Cl2 N2 O4 S2 -","- C80 H56 Cl8 N8 O16 S8 -","4","0.5","HG5476","Prajina, Olakkandiyil; Thomas Muthiah, Packianathan; Geiger, David K.","Supramolecular interactions in the 1:2 co-crystal of 4,4'-bipyridine and 3-chlorothiophene-2-carboxylic acid","Acta Crystallographica Section E","2016","72","10","1362","1365","10.1107/S2056989016013724","","","0.71073","MoKα","","0.0692","0.0545","","","0.131","0.1358","","","","","","1.194","","","","has coordinates,has Fobs","187992","2020-10-21","18:00:00",""
"2000054","7.467","0.002","6.802","0.001","9.673","0.003","90","","108.07","0.02","90","","467.065","","","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C18 H24 N4 O10 -","2","1","","Averbuch-Pouchot, M.-T.; Durif, A.; Renard, A.; Kotera, M.; Lhomme, J.","(3S,2R)-3-Hydroxy-2-hydroxymethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione","Acta Crystallographica Section E","2002","58","3","o256","o258","10.1107/S1600536802002337","","","","","","","0.0386","","","0.0386","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2002982","6.7685","0.0001","32.2337","0.0001","8.173","0.0001","90","","111.578","0.001","90","","1658.17","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[hexaaquacerium(III)] tetraaquacopper(II) tetrasquarate dihydrate","","- C16 H36 Ce2 Cu O34 -","- C16 H36 Ce2 Cu O34 -","- C32 H72 Ce4 Cu2 O68 -","2","0.5","","Ng, Seik Weng; Hu, Sheng-Zhi; Razak, Ibrahim Abdul; Fun, Hoong-Kun","Bis[hexaaquacerium(III)] tetraaquacopper(II) tetrasquarate dihydrate","Acta Crystallographica, Section E","2001","57","","m28","m30","10.1107/S1600536800018791","","","0.71073","MoKα","","0.055","0.043","","","","0.105","","","","","","1.02","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003034","9.9147","0.0003","9.9147","0.0003","8.6508","0.0006","90","","90","","90","","850.38","0.07","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Mo6 O12 Pr -","- Mo6 O12 Pr -","- Mo24 O48 Pr4 -","4","0.25","","Barrier, N.; Tortelier, J.; Gougeon, P.","A new reduced molybdenum oxide with hollandite-type structure, PrMo~6~O~12~","Acta Crystallographica, Section E","2001","57","","i3","i5","10.1107/S1600536800019048","","","0.71073","MoKα","","0.038","0.032","","","","0.081","","","","","","1.176","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2017770","16.24649","0.00013","16.59379","0.00012","7.40433","0.00004","90","","90","","90","","1996.14","0.02","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ-bromido-μ-(2,2-dimethylpropane-1,3-diyl diisocyanide)-silver(I)]","","- C7 H10 Ag Br N2 -","- C7 H10 Ag Br N2 -","- C56 H80 Ag8 Br8 N16 -","8","1","ER2080","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","Poly[μ-bromido-μ-(2,2-dimethylpropane-1,3-diyl diisocyanide)-silver(I)]: a powder diffraction study","Acta Crystallographica, Section E","2010","66","12","m1555","m1556","10.1107/S1600536810044703","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.28","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019769","10.1924","0.0003","10.8732","0.0003","16.9675","0.0006","97.926","0.002","93.711","0.002","107.729","0.002","1762.6","0.1","293","","293","2","","","","","","","","4","P -1","-P 1","2","chalcone","(<i>E</i>)-1-(4'-Methoxy-[1,1'-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","SU5021","Vidhyasagar, T.; Rajeswari, K.; Shanthi, D.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.","Crystal structure of (E)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","1","1","","10.1107/S2056989014025110","","","0.71073","MoKα","","0.1325","0.062","","","0.1671","0.2129","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019773","5.9506","0.0002","8.1608","0.0003","27.0175","0.001","90","","90.379","0.005","90","","1311.99","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyridinium 3-hydroxy-2,4,6-trinitrophenolate","","- C11 H8 N4 O8 -","- C11 H8 N4 O8 -","- C44 H32 N16 O32 -","4","1","SU5046","Muthulakshmi, Selvarasu; Kalaivani, Doraisamyraja","Crystal structure and thermal behaviour of pyridinium styphnate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","117","","10.1107/S2056989014027704","","","0.71073","MoKα","","0.0767","0.0593","","","0.1768","0.1979","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019807","8.9129","0.0004","13.9987","0.0007","32.2568","0.0016","90","","90","","90","","4024.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","C23H19CuN3O3","(Pyridine-κ<i>N</i>)bis(quinolin-2-olato-κ^2^<i>N</i>,<i>O</i>)copper(II) monohydrate","","- C23 H19 Cu N3 O3 -","- C23 H19 Cu N3 O3 -","- C184 H152 Cu8 N24 O24 -","8","1","JJ2192","Hawks, Benjamin; Yan, Jingjing; Basa, Prem; Burdette, Shawn","Crystal structure of (pyridine-κN)bis(quinolin-2-olato-κ2N,O)copper(II) monohydrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m38","","10.1107/S2056989015001279","","","0.71073","MoKα","","0.0774","0.0377","","","0.0797","0.0925","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019808","8.7146","0.0003","12.3963","0.0004","16.6117","0.0006","90","","101.523","0.002","90","","1758.37","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone","","- C20 H22 Cl N O -","- C20 H22 Cl N O -","- C80 H88 Cl4 N4 O4 -","4","1","","Shreevidhyaa Suressh, V.; Prathebha, K.; Abdul Basheer, S.; Ponnuswamy, S.; Usha, G.","Crystal structure of 2-chloro-1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o135","","10.1107/S205698901500122X","","","0.71073","MoKα","","0.072","0.0503","","","0.1971","0.2363","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019809","11.035","0.007","9.073","0.006","12.859","0.008","90","","91.69","0.02","90","","1286.9","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(1-Methyl-5-nitro-1<i>H</i>-imidazol-2-yl)methyl]pyridinium iodide","","- C10 H11 I N4 O2 -","- C10 H11 I N4 O2 -","- C40 H44 I4 N16 O8 -","4","1","HG5425","Belguedj, Roumaissa; Bouraiou, Abdelmalek; Merazig, Hocine; Belfaitah, Ali; Bouacida, Sofiane","Crystal structure of 1-[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]pyridinium iodide","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o133","","10.1107/S2056989015001541","","","0.71073","MoKα","","0.0764","0.0292","","","0.0561","0.0666","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019810","6.4237","0.0008","8.8412","0.0011","11.7799","0.0015","88.606","0.006","76.588","0.006","70.193","0.005","611.19","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-{(<i>E</i>)-[(3,4-Dichlorophenyl)imino]methyl}benzene-1,2-diol","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C26 H18 Cl4 N2 O4 -","2","1","HB7353","Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Rauf, Abdul; Khan, Abdul Haleem","Crystal structure of 3-{(E)-[(3,4-dichlorophenyl)imino]methyl}benzene-1,2-diol","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o137","","10.1107/S2056989015001401","","","0.71073","MoKα","","0.0791","0.0524","","","0.1372","0.1637","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019811","10.0605","0.0003","12.7027","0.0004","23.1455","0.0006","90","","94.107","0.003","90","","2950.3","0.15","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-<i>tert</i>-Butyl-2-{2-[<i>N</i>-(3,3-dimethyl-2-oxobutyl)-<i>N</i>-isopropylcarbamoyl]phenyl}-1-isopropyl-1<i>H</i>-imidazol-3-ium perchlorate","","- C26 H40 Cl N3 O6 -","- C26 H40 Cl N3 O6 -","- C104 H160 Cl4 N12 O24 -","4","1","LH5748","Hordiyenko, Olga V.; Zubatyuk, Roman I.","Crystal structure of 4-tert-butyl-2-{2-[N-(3,3-dimethyl-2-oxobutyl)-N-isopropylcarbamoyl]phenyl}-1-isopropyl-1H-imidazol-3-ium perchlorate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","223","","10.1107/S2056989015001486","","","0.71073","MoKα","","0.0805","0.0596","","","0.1627","0.1788","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019812","26.2042","0.0009","15.312","0.0005","16.793","0.0005","90","","90","","90","","6738","0.4","160","2","160","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II) dichloride chloroform pentasolvate","","- C59 H57 Cl17 P4 Pt -","- C59 H57 Cl17 P4 Pt -","- C236 H228 Cl68 P16 Pt4 -","4","0.5","GG2144","Anderson, Bradley G.; Hoyte, Sarah A.; Spencer, John L.","Crystal structure of bis[1,3-bis(diphenylphosphanyl)propane-κ2P,P′]platinum(II) dichloride chloroform pentasolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m37","","10.1107/S205698901500136X","","","0.71073","MoKα","","0.0602","0.0373","","","0.0661","0.0728","","","","","","1.195","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019813","18.324","0.0002","7.166","0.0001","19.508","0.0002","90","","109.341","0.004","90","","2417.03","0.08","298","1","298","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ-<i>N</i>,<i>N</i>'-Dibenzyldithiooxamidato-κ<i>N</i>,<i>S</i>:<i>N</i>',<i>S</i>')bis[(η^3^-crotyl)palladium(II)]","","- C24 H28 N2 Pd2 S2 -","- C24 H28 N2 Pd2 S2 -","- C96 H112 N8 Pd8 S8 -","4","0.5","ZS2324","Bruno, Giuseppe; Lanza, Santo; Giannetto, Antonino; Sacca, Alessandro; Amiri Rudbari, Hadi","Crystal structure of (μ-N,N′-dibenzyldithiooxamidato-κN,S:N′,S′)bis[(η3-crotyl)palladium(II)]","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m40","","10.1107/S2056989015001292","","","0.71073","MoKα","","0.0338","0.0314","","","","0.0846","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019814","5.3068","0.0003","26.711","0.0018","9.4679","0.0006","90","","117.431","0.003","90","","1191.18","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-2-phenylchroman-4-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","LH5747","Belguedj, Roumaissa; Bouacida, Sofiane; Merazig, Hocine; Chibani, Aissa; Bouraiou, Abdelmalek","Crystal structure of (2S/2R,3S/3R)-3-hydroxy-2-phenylchroman-4-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o131","","10.1107/S2056989015001346","","","0.71073","MoKα","","0.0921","0.0575","","","0.1319","0.1482","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019815","15.0519","0.0006","15.1758","0.0005","17.9186","0.0008","90","","107.886","0.002","90","","3895.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(thiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I) nitrate","","- C38 H38 Ag N5 O3 P2 S2 -","- C38 H38 Ag N5 O3 P2 S2 -","- C152 H152 Ag4 N20 O12 P8 S8 -","4","1","HB7352","Nawaz, Sidra; Tahir, Muhammad Nawaz; Nadeem, Muhammad Amir; Mehmood, Bushra; Ahmad, Saeed","Crystal structure of bis(thiourea-κS)bis(triphenylphosphane-κP)silver(I) nitrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","220","","10.1107/S2056989015001395","","","0.71073","MoKα","","0.1395","0.0507","","","0.0663","0.0881","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019821","15.865","0.0012","9.0396","0.0003","14.8223","0.0018","90","","120.82","0.007","90","","1825.5","0.3","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>fac</i>-Trichloridotris(trimethylphosphane-κ<i>P</i>)rhodium monohydrate","","- C9 H29 Cl3 O P3 Rh -","- C9 H29 Cl3 O P3 Rh -","- C36 H116 Cl12 O4 P12 Rh4 -","4","1","PK2543","Merola, Joseph S.; Franks, Marion A.","Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","226","","10.1107/S2056989015001516","","","0.71073","MoKα","","0.0233","0.023","","","0.0583","0.0585","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019822","16.0993","0.0016","15.591","0.0009","16.4152","0.0014","90","","115.084","0.013","90","","3731.7","0.7","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Trichloridotris(trimethylphosphane-κ<i>P</i>)rhodium methanol hemisolvate","","- C9.5 H29 Cl3 O0.5 P3 Rh -","- C9.5 H29 Cl3 O0.5 P3 Rh -","- C76 H232 Cl24 O4 P24 Rh8 -","8","2","","Merola, Joseph S.; Franks, Marion A.","Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","226","","10.1107/S2056989015001516","","","0.71073","MoKα","","0.0375","0.0286","","","0.0671","0.0709","","","","","","1.079","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019823","10.3522","0.0006","13.001","0.0008","21.9803","0.0014","99.823","0.002","99.061","0.002","102.677","0.002","2784.8","0.3","115","","115","","","","","","","","","8","P -1","-P 1","2","","Tricarbonyl(μ-diphenylphosphido-κ^2^<i>P</i>:<i>P</i>)(methyldiphenylsilyl-κ<i>Si</i>)bis(triphenylphosphane-κ<i>P</i>)iron(II)platinum(0)(<i>Fe</i>—<i>Pt</i>) dichloromethane hemisolvate","","- C64.5 H54 Cl Fe O3 P3 Pt Si -","- C64.5 H54 Cl Fe O3 P3 Pt Si -","- C129 H108 Cl2 Fe2 O6 P6 Pt2 Si2 -","2","1","GK2624","Mohamed, Ahmed Said; Jourdain, Isabelle; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.","Crystal structure of tricarbonyl(μ-diphenylphosphido-κ2P:P)(methyldiphenylsilyl-κSi)bis(triphenylphosphane-κP)iron(II)platinum(0)(Fe—Pt)","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","241","","10.1107/S2056989015001565","","","0.71073","MoKα","","0.037","0.0271","","","0.0595","0.0626","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019824","28.0866","0.001","9.0052","0.0003","7.4023","0.0002","90","","90","","90","","1872.23","0.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-Amino-5-nitropyridinium sulfamate","","- C5 H8 N4 O5 S -","- C5 H8 N4 O5 S -","- C40 H64 N32 O40 S8 -","8","1","SU5048","Rajkumar, M. Ambrose; NizamMohideen, M.; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Dr. Prem Anand","Crystal structure of 2-amino-5-nitropyridinium sulfamate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","231","","10.1107/S2056989015000365","","","0.71073","MoKα","","0.0582","0.0552","","","0.1089","0.1108","","","","","","1.284","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019825","10.5568","0.0014","4.0728","0.0006","19.257","0.003","90","","95.28","0.003","90","","824.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-methoxy(pyridin-2-yl)methanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]bis[chloridocopper(II)]","","- C14 H16 Cl2 Cu2 N2 O4 -","- C14 H16 Cl2 Cu2 N2 O4 -","- C28 H32 Cl4 Cu4 N4 O8 -","2","0.5","CQ2013","Boonlue, Sujirat; Sirikulkajorn, Anchalee; Chainok, Kittipong","Crystal structure of bis[μ-methoxy(pyridin-2-yl)methanolato-κ3N,O:O]bis[chloridocopper(II)]","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m44","","10.1107/S2056989015001310","","","0.71073","MoKα","","0.0838","0.0454","","","0.0962","0.1076","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019826","7.9947","0.0006","13.9384","0.0018","19.923","0.002","72.942","0.01","82.968","0.007","87.936","0.008","2106.5","0.4","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","(Acetone-κ<i>O</i>)tris(μ-ferrocene-1,1'-dicarbonitrile-κ^2^<i>N</i>:<i>N</i>')dicopper(I) bis(tetrafluoridoborate) acetone monosolvate","","- C42 H36 B2 Cu2 F8 Fe3 N6 O2 -","- C42 H36 B2 Cu2 F8 Fe3 N6 O2 -","- C84 H72 B4 Cu4 F16 Fe6 N12 O4 -","2","1","WM5104","Strehler, Frank; Korb, Marcus; Lang, Heinrich","Crystal structure of paddle-wheel sandwich-type [Cu2{(CH3)2CO}{μ-Fe(η5-C5H4C[triple-bond]N)2}3](BF4)2·(CH3)2CO","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","244","","10.1107/S2056989015001760","","","1.54184","CuKα","","0.0441","0.0407","","","0.1044","0.1071","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019827","7.8655","0.0004","7.8655","0.0004","7.7938","0.0006","90","","90","","90","","482.17","0.05","293","2","293","2","","","","","","","Langban, Sweden","4","P 42/n :2","-P 4bc","86","Tetrawickmanite","Manganese(II) tin(IV) hexahydroxide]","Tetrawickmanite","- H6 Mn O6 Sn -","- H6 Mn O6 Sn -","- H24 Mn4 O24 Sn4 -","4","0.5","WM5112","Lafuente, Barbara; Yang, Hexiong; Downs, Robert T.","Crystal structure of tetrawickmanite, Mn2+Sn4+(OH)6","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","234","237","10.1107/S2056989015001632","","","0.71073","MoKα","","0.0516","0.0205","","","0.046","0.0557","","","","","","1.004","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:06",""
"2019828","4.98211","0.0001","12.5624","0.0003","11.8156","0.0003","90","","91.1262","0.0014","90","","739.36","0.03","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","β-<i>D,L</i>-Allose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ishii, Tomohiko; Senoo, Tatsuya; Kozakai, Taro; Fukada, Kazuhiro; Sakane, Genta","Crystal structure of β-D,L-allose","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o139","","10.1107/S2056989015000353","","","1.54187","CuKα","","","0.0374","","","","0.1015","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019829","9.6432","0.0005","10.796","0.001","16.1673","0.001","90.899","0.006","97.203","0.005","91.2","0.006","1669.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","Benzyl (<i>E</i>)-2-(3,4-dimethoxybenzylidene)hydrazine-1-carbodithioate","","- C17 H18 N2 O2 S2 -","- C17 H18 N2 O2 S2 -","- C68 H72 N8 O8 S8 -","4","2","SU5044","Tan, Yew-Fung; Break, Mohammed Khaled bin; Tahir, M. Ibrahim M.; Khoo, Teng-Jin","Crystal structure of benzyl (E)-2-(3,4-dimethoxybenzylidene)hydrazine-1-carbodithioate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","238","","10.1107/S205698901500095X","","","1.5418","CuKα","","0.0437","0.0365","","0.1055","0.0985","0.1055","","","","","","0.9887","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019830","29.265","0.005","7.5671","0.0013","18.811","0.003","90","","99.271","0.007","90","","4111.3","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(quinolin-2-yl-κ<i>N</i>)methylidene]benzene-1,4-diamine-κ<i>N</i>^4^}mercury(II)","","- C22 H17 Cl2 Hg N3 -","- C22 H17 Cl2 Hg N3 -","- C176 H136 Cl16 Hg8 N24 -","8","1","WM5117","Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V.; Iskenderov, Turganbay S.","Crystal structure of dichlorido{N1-phenyl-N4-[(quinolin-2-yl-κN)methylidene]benzene-1,4-diamine-κN4}mercury(II)","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m46","","10.1107/S2056989015001620","","","0.71073","MoKα","","0.0885","0.0381","","","0.0739","0.0865","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019831","11.8412","0.0003","12.7764","0.0003","13.8298","0.0003","67.217","0.001","66.915","0.001","85.51","0.001","1767.88","0.07","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis(tetraphenylphosphonium) bis(cyanido-κ<i>C</i>)(29<i>H</i>,31<i>H</i>-tetrabenzo[<i>b</i>,<i>g</i>,<i>l</i>,<i>q</i>]porphinato-κ^4^<i>N</i>^29^,<i>N</i>^30^,<i>N</i>^31^,<i>N</i>^32^)ferrate(II) acetone disolvate","","- C92 H72 Fe N6 O2 P2 -","- C92 H72 Fe N6 O2 P2 -","- C92 H72 Fe N6 O2 P2 -","1","0.5","","Nishi, Miki; Matsuda, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Crystal structure of bis(tetraphenylphosphonium) bis(cyanido-κC)(29H,31H-tetrabenzo[b,g,l,q]porphinato-κ4N29,N30,N31,N32)ferrate(II) acetone disolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m48","","10.1107/S2056989015001735","","","1.54187","CuKα","","0.1009","0.0681","","","0.1676","0.1975","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019832","17.763","0.003","17.652","0.003","20.145","0.004","90","","110.57","0.004","90","","5913.8","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ^4^<i>N</i>}iron(III)","","- C64 H64 Cl Fe N8 O4 -","- C64 H64 Cl Fe N8 O4 -","- C256 H256 Cl4 Fe4 N32 O16 -","4","1","","Awasabisah, Dennis; Powell, Douglas R.; Richter-Addo, George B.","Crystal structure of chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ4N}iron(III)","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m42","","10.1107/S205698901500153X","","","0.71073","MoKα","","0.1693","0.0923","","","0.2449","0.2798","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019833","11.92","0.002","6.7919","0.0013","12.144","0.003","90","","101.659","0.006","90","","962.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,4<i>R</i>,9<i>S</i>,11<i>S</i>,12<i>R</i>)-9α-Hydroxy-4,8-dimethyl-12-[(thiomorpholin-4-yl)methyl]-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C19 H29 N O4 S -","- C19 H29 N O4 S -","- C38 H58 N2 O8 S2 -","2","1","HB7355","Benharref, Ahmed; Akssira, Mohamed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","Crystal structure of (1S,2R,4R,9S,11S,12R)-9α-hydroxy-4,8-dimethyl-12-[(thiomorpholin-4-yl)methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o140","","10.1107/S205698901500170X","","","0.71073","MoKα","","0.0334","0.0314","","","0.0811","0.0829","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019834","7.2944","0.0005","7.1464","0.0005","9.2736","0.0007","90","","101.546","0.004","90","","473.64","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[silver(I)-μ-<i>L</i>-tyrosinato-κ^2^<i>O</i>:<i>N</i>]","","- C9 H10 Ag N O3 -","- C9 H10 Ag N O3 -","- C18 H20 Ag2 N2 O6 -","2","1","IM2459","Yousaf, Aqsa; Tahir, Muhammad Nawaz; Rauf, Abdul; Awan, Shafique Ahmad; Ahmad, Saeed","Crystal structure ofcatena-poly[silver(I)-μ-L-tyrosinato-κ2O:N]","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m50","","10.1107/S2056989015001905","","","0.71073","MoKα","","0.0237","0.0222","","","0.0512","0.052","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019835","12.6068","0.0005","9.9798","0.0004","22.7581","0.0009","90","","100.174","0.002","90","","2818.25","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[trimethyltin(IV)]-μ-2-(2-nitrophenyl)acetato-κ^2^<i>O</i>:<i>O</i>']","","- C11 H15 N O4 Sn -","- C11 H15 N O4 Sn -","- C88 H120 N8 O32 Sn8 -","8","1","HB7359","Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Raza, Muhammad Asam; Ashfaq, Muhammad","Crystal structure ofcatena-poly[[trimethyltin(IV)]-μ-2-(2-nitrophenyl)acetato-κ2O:O′]","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m52","","10.1107/S205698901500198X","","","0.71073","MoKα","","0.0292","0.0246","","","0.0539","0.0569","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019836","7.518","0.0005","9.7274","0.0005","30.2035","0.0015","90","","90","","90","","2208.8","0.2","283","2","283","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3<i>S</i>)-3-Acetoxy-17-(pyridin-3-yl)androsta-5,16-diene","(3<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>)-10,13-Dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl acetate","","- C26 H33 N O2 -","- C26 H33 N O2 -","- C104 H132 N4 O8 -","4","1","HB7357","Zhou, Shengjun; Huang, Huaqi; Huang, Rongbin","Crystal structure of (3S)-3-acetoxy-17-(pyridin-3-yl)androsta-5,16-diene","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o146","","10.1107/S2056989015001966","","","0.71073","MoKα","","0.0789","0.0558","","","0.1162","0.1282","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019837","23.7049","0.0011","8.2632","0.0003","22.1003","0.0008","90","","102.337","0.002","90","","4229","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ethyl 1',1''-dimethyl-2'',3-dioxo-1'',2''-dihydro-3<i>H</i>-dispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indole]-4'-carboxylate","Ethyl 1',1''-dimethyl-2'',3-dioxo-3<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C184 H176 N16 O32 S8 -","8","1","SU5065","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.","Crystal structure of ethyl 1′,1′′-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o142","","10.1107/S2056989015002042","","","0.71073","MoKα","","0.0472","0.0378","","","0.0979","0.105","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019838","16.5301","0.0013","6.0573","0.0004","17.0036","0.0012","90","","100.81","0.004","90","","1672.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[(Naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C72 H84 N4 O16 S4 -","4","1","GK2626","Danish, Muhammad; Tahir, Muhammad Nawaz; Hussain, Asif; Ashfaq, Muhammad; Sadiq, Muhammad Nadeem","Crystal structure of 4-{[(naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o145","","10.1107/S2056989015002054","","","0.71073","MoKα","","0.0838","0.0454","","","0.1004","0.1173","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019839","6.5067","0.0002","9.7385","0.0002","21.078","0.0005","90","","97.154","0.001","90","","1325.22","0.06","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(4-Methylphenyl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","<i>rac</i>-3-Hydroxy-2-(<i>p</i>-tolyl)-2,3,3a,4,7,7a-hexahydro-1<i>H</i>-4,7-methanoisoindol-1-one","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","SU5074","Aslantaş, Mehmet; Çelik, Cumali; Çelik, Ömer; Karayel, Arzu","Crystal structure ofrac-3-hydroxy-2-(p-tolyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o143","","10.1107/S2056989015001942","","","0.71073","MoKα","","0.0816","0.0626","","","0.1602","0.1795","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019844","13.0433","0.0006","12.27","0.0005","13.4981","0.0007","90","","114.269","0.002","90","","1969.34","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PPBD","<i>N</i>^1^-Phenyl-<i>N</i>^4^-[(<i>E</i>)-(pyren-1-yl)methylidene]benzene-1,4-diamine","","- C29 H20 N2 -","- C29 H20 N2 -","- C116 H80 N8 -","4","1","SU5072","Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V.","Crystal structure ofN1-phenyl-N4-[(E)-(pyren-1-yl)methylidene]benzene-1,4-diamine","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","261","","10.1107/S2056989015001814","","","0.71073","MoKα","","0.1123","0.0562","","","0.115","0.1357","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019845","7.133","0.0014","8.7013","0.0016","11.979","0.002","103.969","0.002","101.052","0.002","100.882","0.003","686.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diaqua(μ~2~-triethylenetetraminehexaacetato)dizinc tetrahydrate","","- C18 H38 N4 O18 Zn2 -","- C18 H38 N4 O18 Zn2 -","- C18 H38 N4 O18 Zn2 -","1","0.5","HB7351","Liu, Huan; Lu, Li-Ping","Crystal structure of diaqua(μ2-triethylenetetraminehexaacetato)dizinc tetrahydrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m55","","10.1107/S2056989015002108","","","0.71073","MoKα","","0.0389","0.0342","","","0.087","0.0888","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019846","16.311","0.005","11.103","0.005","23.585","0.005","90","0.005","98.354","0.005","90","0.005","4226","2","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Ethyl 1',5-dimethyl-2'',3-dioxo-3<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C184 H176 N16 O32 S8 -","8","2","SU5064","Raja, R.; Govindaraj, J.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o152","","10.1107/S2056989015001528","","","0.71073","MoKα","","0.1083","0.0542","","","0.1523","0.1822","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019847","13.0774","0.0005","13.4537","0.0005","26.5153","0.0009","90","","90","","90","","4665.1","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κ<i>N</i>]ethyl}pyridine-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride","","- C23 H27 Cl3 N3 Rh -","- C23 H27 Cl3 N3 Rh -","- C184 H216 Cl24 N24 Rh8 -","8","1","RZ5146","Devika, Neelakandan; Raja, Nandhagopal; Ananthalakshmi, Subbiah; Therrien, Bruno","Crystal structure of chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κN]ethyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","248","","10.1107/S205698901500184X","","","0.71073","MoKα","","0.0587","0.0318","","","0.0501","0.0535","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019848","9.7935","0.0016","11.2141","0.0018","19.57","0.003","103.601","0.004","90.867","0.003","108.24","0.004","1974.9","0.5","195","2","195","2","","","","","","","","6","P -1","-P 1","2","","[1-(2,6-Diisopropylphenyl)-2,4-bis(dimethylamino)-5-trimethylsilyl-1,3,5-triazapentadienyl-κ^2^<i>N</i>^1^,<i>N</i>^5^](triphenylphosphane-κ<i>P</i>)copper(I)","","- C39 H53 Cu N5 P Si -","- C39 H53 Cu N5 P Si -","- C78 H106 Cu2 N10 P2 Si2 -","2","1","","Li, Feiguang; Yan, Lei; Tong, Hongbo; Zhou, Meisu","Crystal structure of [1-(2,6-diisopropylphenyl)-2,4-bis(dimethylamino)-5-trimethylsilyl-1,3,5-triazapentadienyl-κ2N1,N5](triphenylphosphane-κP)copper(I)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m54","","10.1107/S2056989015002169","","","0.71073","MoKα","","0.1189","0.0509","","","0.0748","0.0891","","","","","","0.749","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019849","11.2426","0.0003","11.4899","0.0003","30.372","0.0009","79.121","0.001","88.628","0.002","81.85","0.001","3813.91","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-(1-Benzyl-2-oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazine-1-carbothioamide","","- C22 H18 N4 O S -","- C22 H18 N4 O S -","- C176 H144 N32 O8 S8 -","8","4","SU5069","Vimala, G.; Haribabu, J.; Karvembu, R.; Kumar, B. V. N. Phani; SubbiahPandi, A.","Crystal structure of (Z)-2-(1-benzyl-2-oxoindolin-3-ylidene)-N-phenylhydrazine-1-carbothioamide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o160","","10.1107/S2056989015002248","","","0.71073","MoKα","","0.167","0.0525","","","0.1116","0.1556","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019850","10.7726","0.0006","9.7572","0.0003","12.2084","0.0005","90","","115.547","0.006","90","","1157.77","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-[2-(thiophen-3-yl)ethynyl]-2H-chromen-2-one","3-[2-(Thiophen-3-yl)ethynyl]-2<i>H</i>-chromen-2-one","","- C15 H8 O2 S -","- C15 H8 O2 S -","- C60 H32 O8 S4 -","4","1","","Caracelli, Ignez; Maganhi, Stella H.; Stefani, Hélio A.; Gueogjian, Karina; Tiekink, Edward R. T.","Crystal structure of 3-[2-(thiophen-3-yl)ethynyl]-2H-chromen-2-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o154","","10.1107/S2056989015002157","","","1.54184","CuKα","","0.0548","0.0504","","","0.1499","0.1557","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019851","10.8336","0.0011","11.7927","0.0011","13.7275","0.0014","90","","108.357","0.002","90","","1664.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methylamino-3-nitro-4-<i>p</i>-tolylpyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one","","- C20 H16 N2 O5 -","- C20 H16 N2 O5 -","- C80 H64 N8 O20 -","4","1","HB7345","Govindaraj, J.; AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of 2-methylamino-3-nitro-4-p-tolylpyrano[3,2-c]chromen-5(4H)-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o158","","10.1107/S205698901500225X","","","0.71073","MoKα","","0.0931","0.0498","","","0.1188","0.1508","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019852","10.85","0.01","9.51","0.009","11.2","0.011","90","","94.85","0.02","90","","1151.5","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-{<i>N</i>-[<i>N</i>-Acetyl-(<i>S</i>)-leucyl]-(<i>S</i>)-leucyl}norleucinal","","- C20 H37 N3 O4 -","- C20 H37 N3 O4 -","- C40 H74 N6 O8 -","2","1","GK2625","Czerwinski, Andrzej; Basava, Channa; Dauter, Miroslawa; Dauter, Zbigniew","Crystal structure ofN-{N-[N-acetyl-(S)-leucyl]-(S)-leucyl}norleucinal (ALLN), an inhibitor of proteasome","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","254","","10.1107/S2056989015002091","","","0.6199","synchrotron","","0.0417","0.0412","","","0.1142","0.115","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019853","34.883","0.005","8.3956","0.0009","6.583","0.0008","90","","95.65","0.011","90","","1918.6","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(naphthalen-2-ol)","1-({3-[(2-Hydroxynaphthalen-1-yl)methyl]imidazolidin-1-yl}methyl)naphthalen-2-ol","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","0.5","","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,1′-[imidazolidine-1,3-diylbis(methylene)]bis(naphthalen-2-ol)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","258","","10.1107/S2056989015002078","","","0.71073","MoKα","","0.0686","0.0546","","","0.1503","0.1585","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019854","11.8894","0.0005","10.2181","0.0004","17.5044","0.0008","90","","97.991","0.002","90","","2105.91","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 2'',3-dioxo-1'',2'',3',3'a,4',6'-hexahydro-3<i>H</i>-dispiro[1-benzothiophene-2,2'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-1',3''-indole]-3'-carboxylate","2'',3-Dioxo-7',7a'-dihydro-1'<i>H</i>,3<i>H</i>,3'<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,6'-pyrrolo[1,2-<i>c</i>]thiazole-5',3''-indoline]-7'-carboxylate","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C92 H80 N8 O16 S8 -","4","1","SU5067","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.","Crystal structure of ethyl 2′′,3-dioxo-7′,7a'-dihydro-1′H,3H,3′H-dispiro[benzo[b]thiophene-2,6′-pyrrolo[1,2-c]thiazole-5′,3′′-indoline]-7′-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o148","","10.1107/S2056989015002030","","","0.71073","MoKα","","0.0397","0.0319","","","0.0806","0.0877","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019855","13.877","0.002","11.8999","0.0019","15.426","0.004","90","","116.463","0.004","90","","2280.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ethyl 5''-fluoro-2'',3-dioxo-1'',2',2'',5',6',7',8',8'a-\ octahydro-3<i>H</i>-dispiro[1-benzothiophene-2,1'-indolizine-3',3''-\ indole]-2'-carboxylate","Ethyl 5''-fluoro-2'',3-dioxo-6',7',8',8a'-tetrahydro-\ 2'<i>H</i>,3<i>H</i>,5'<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,1'-\ indolizine-3',3''-indoline]-2'-carboxylate","","- C25 H23 F N2 O4 S -","- C25 H23 F N2 O4 S -","- C100 H92 F4 N8 O16 S4 -","4","1","SU5063","Raja, R.; Govindaraj, J.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a'-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o156","","10.1107/S2056989015002121","","","0.71073","MoKα","","0.0656","0.0438","","","0.1039","0.1188","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019856","9.8527","0.0001","9.8527","0.0001","9.8527","0.0001","90","","90","","90","","956.458","0.017","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Potassium rubidium cobalt(II)/titanium(IV) tris(orthophosphate)","","- Co0.293 K0.845 O12 P3 Rb0.743 Ti1.707 -","- Co0.2927 K0.844 O12 P3 Rb0.743 Ti1.7073 -","- Co1.1708 K3.376 O48 P12 Rb2.972 Ti6.8292 -","4","0.333333","BR2246","Strutynska, Nataliia Yu.; Bondarenko, Marina A.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.","Crystal structure of langbeinite-related Rb0.743K0.845Co0.293Ti1.707(PO4)3","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","251","","10.1107/S2056989015001826","","","0.71073","MoKα","","0.0306","0.0258","","","","0.0514","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019857","9.4184","0.0003","9.8804","0.0004","12.5401","0.0005","95.341","0.002","107.535","0.002","99.94","0.002","1082.87","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","20-(Naphthalen-1-yl)-19-oxa-8,17-diazapentacyclo[8.7.3.0^1,10^.0^2,7^.0^12,17^]icosa-2(7),3,5-triene-9,18-dione","15-(Naphthalen-1-yl)-7,7a,8,9,10,11-hexahydro-6a,12a-(methanoepoxymethano)indolizino[2,3-<i>c</i>]quinoline-6,13(5<i>H</i>)-dione","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","SU5066","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.","Crystal structure of 15-(naphthalen-1-yl)-7,7a,8,9,10,11-hexahydro-6a,12a-(methanoepoxymethano)indolizino[2,3-c]quinoline-6,13(5H)-dione","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o150","","10.1107/S2056989015002017","","","0.71073","MoKα","","0.057","0.0402","","","0.1146","0.1573","","","","","","0.872","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019858","7.432","0.0003","11.9278","0.0003","15.3152","0.0006","90","","90","","90","","1357.65","0.08","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4a,8-Trimethyldodecahydroazuleno[6,5-<i>b</i>]furan-2,5-dione","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Beghidja, Noureddine; Benayache, Samir; Benayache, Fadila; Knight, David W.; Kariuki, Benson M.","Crystal structure of pseudoguainolide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o162","","10.1107/S2056989015002510","","","0.71073","MoKα","","0.0637","0.0474","","","0.099","0.107","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019859","9.9727","0.0015","31.971","0.005","10.2162","0.0015","90","","110.022","0.002","90","","3060.4","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)(thiocyanato-κ<i>N</i>)copper(I)","","- C31 H34 Cu N3 P2 S2 -","- C31 H34 Cu N3 P2 S2 -","- C124 H136 Cu4 N12 P8 S8 -","4","2","LH5751","Wattanakanjana, Yupa; Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira","Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ2P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m61","","10.1107/S2056989015002479","","","0.71073","MoKα","","0.0511","0.0454","","","0.1084","0.1106","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019860","5.4431","0.0003","6.4313","0.0004","28.5697","0.0015","90","","92.762","0.002","90","","998.96","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaquabis[2-(2-nitrophenyl)acetato-κ<i>O</i>]cobalt(II)","","- C16 H20 Co N2 O12 -","- C16 H20 Co N2 O12 -","- C32 H40 Co2 N4 O24 -","2","0.5","WM5121","Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Raza, Muhammad Asam; Ashfaq, Muhammad","Tetraaquabis[2-(2-nitrophenyl)acetato-κO]cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m59","","10.1107/S2056989015002467","","","0.71073","MoKα","","0.0323","0.0277","","","0.0677","0.0704","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019861","18.3559","0.0011","9.6747","0.0005","10.3368","0.0006","90","","116.81","0.002","90","","1638.37","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis[<i>S</i>-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","","- C30 H42 N4 Pd S4 -","- C30 H42 N4 Pd S4 -","- C60 H84 N8 Pd2 S8 -","2","0.5","","Begum, M. Sabina; Howlader, M. Belayet Hossain; Sheikh, M. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Crystal structure of bis[S-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ2N3,S]palladium(II)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m63","","10.1107/S2056989015002236","","","1.54187","CuKα","","0.0989","0.0905","","","0.2136","0.2245","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019862","8.019","0.006","9.562","0.008","9.984","0.008","88.937","0.013","76.254","0.012","71.586","0.013","704.2","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2,3-Bis(4-chlorophenyl)-1,3-thiazolidin-4-one","","- C15 H11 Cl2 N O S -","- C15 H11 Cl2 N O S -","- C30 H22 Cl4 N2 O2 S2 -","2","1","SU5062","Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J.","Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","264","","10.1107/S2056989015001954","","","0.71073","MoKα","","0.0393","0.0359","","","0.0956","0.0987","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019863","7.1094","0.0017","20.94","0.005","20.94","","90","","90","","90","","3117.4","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,3-Bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","","- C15 H11 Cl2 N O2 S -","- C15 H11 Cl2 N O2 S -","- C120 H88 Cl16 N8 O16 S8 -","8","1","SU5062","Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J.","Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","264","","10.1107/S2056989015001954","","","0.71073","MoKα","","0.0791","0.0513","","","0.1263","0.1381","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019864","9.3108","0.0004","10.1943","0.0004","13.4745","0.0005","81.557","0.002","79.143","0.002","77.797","0.003","1220.03","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)iron(II)‒1-methyl-1<i>H</i>-imidazole (1/2)","","- C60 H52 Fe N12 -","- C60 H52 Fe N12 -","- C60 H52 Fe N12 -","1","0.5","","Guan, Ye; Powell, Douglas R.; Richter-Addo, George B.","Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)‒1-methyl-1H-imidazole (1/2)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m57","","10.1107/S2056989015002364","","","0.71073","MoKα","","0.0469","0.0402","","","0.1121","0.1191","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019884","16.2389","0.0005","15.3506","0.0005","16.5549","0.0005","90","","99.3892","0.0017","90","","4071.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]manganese(II) bis(hexafluoridophosphate) monohydrate","","- C40 H30 F12 Mn N8 O P2 -","- C40 H28 F12 Mn N8 O P2 -","- C160 H112 F48 Mn4 N32 O4 P8 -","4","1","HG5428","Lourenço, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, José A.","Crystal structures of the water and acetone monosolvates of bis[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]manganese(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E Crystallographic Communications","2015","71","4","330","","10.1107/S2056989015003503","","","0.71073","MoKα","","0.1174","0.0885","","","0.2176","0.2444","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019885","18.0996","0.0015","27.47","0.002","8.5734","0.0006","90","","90","","90","","4262.7","0.6","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","Bis[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]manganese(II) bis(hexafluoridophosphate) acetone monosolvate","","- C43 H34 F12 Mn N8 O P2 -","- C43 H34 F12 Mn N8 O P2 -","- C172 H136 F48 Mn4 N32 O4 P8 -","4","0.5","","Lourenço, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, José A.","Crystal structures of the water and acetone monosolvates of bis[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]manganese(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E Crystallographic Communications","2015","71","4","330","","10.1107/S2056989015003503","","","0.71073","MoKα","","0.1446","0.1036","","","0.2439","0.27","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019920","14.707","0.005","14.707","0.005","19.175","0.007","90","","90","","120","","3592","2","298","2","298","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Double hexakismolybdate(VI) de chrome et de nonasodium","Nonasodium chromium(III) hexakis[molybdate(VI)]","","- Cr Mo6 Na9 O24 -","- Cr Mo6 Na9 O24 -","- Cr6 Mo36 Na54 O144 -","6","0.166667","RU2063","Dridi, Wassim; Ennajeh, Ines; Zid, Mohamed Faouzi","Synthèse et étude structurale de Na9Cr(MoO4)6","Acta Crystallographica Section E Crystallographic Communications","2015","71","5","435","","10.1107/S2056989015005976","","","0.71073","MoKα","","0.0518","0.0282","","","0.0729","0.0779","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019951","8.0357","0.0003","5.5554","0.0002","12.8733","0.0005","90","","101.312","0.001","90","","563.52","0.04","100","","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","(<i>E</i>)-2-Hydroxy-4'-methoxyazastilbene","(<i>E</i>)-2-[(4-Methoxybenzylidene)amino]phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","SU5124","Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Chantrapromma, Kan; Ghabbour, Hazem A.; Fun, Hoong-Kun","Crystal structure of (E)-2-hydroxy-4′-methoxyazastilbene","Acta Crystallographica Section E Crystallographic Communications","2015","71","6","571","","10.1107/S2056989015008348","","","0.71073","MoKα","","0.0369","0.0366","","","0.0993","0.0996","","","","","","1.09","","","","has coordinates,has Fobs","136425","2020-10-21","18:00:00",""
"2019956","15.1241","0.0009","6.0111","0.0004","14.3212","0.0009","90","","110.268","0.002","90","","1221.36","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(<i>p</i>-tolyl)-4<i>H</i>-benzo[<i>e</i>][1,3]thiazine","2-(4-Methylphenyl)-4<i>H</i>-1,3-benzothiazine","","- C15 H13 N S -","- C15 H13 N S -","- C60 H52 N4 S4 -","4","1","IS5385","Sandhya, N. C.; Chandra,; Suresha, G. P.; Lokanath, N. K.; Mahendra, M.","Crystal structure of 2-(4-methylphenyl)-4H-1,3-benzothiazine","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o74","","10.1107/S205698901402725X","","","1.54178","CuKα","","0.0372","0.0359","","","0.1008","0.1019","","","","","","1.054","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019957","14.0819","0.0007","9.747","0.0005","24.0399","0.0012","90","","90","","90","","3299.6","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 6-bromo-2-[(<i>E</i>)-2-phenylethenyl]quinoline-4-carboxylate","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C160 H128 Br8 N8 O16 -","8","1","SU5042","Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of ethyl 6-bromo-2-[(E)-2-phenylethenyl]quinoline-4-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o121","","10.1107/S2056989014028266","","","1.54178","CuKα","","0.0566","0.0459","","","0.1228","0.1341","","","","","","1.043","","","","has coordinates,has Fobs","136871","2020-10-21","18:00:00",""
"2019958","17.6546","0.0005","6.1464","0.0002","30.0234","0.0009","90","","99.899","0.004","90","","3209.4","0.17","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","chalcone","(<i>E</i>)-1-([1,1'-Biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C168 H120 N8 O24 -","8","1","SU5060","Shanthi, D.; Vidhyasagar, T.; Rajeswari, K.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.","Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o119","","10.1107/S2056989015000523","","","0.71073","MoKα","","0.0649","0.0486","","","0.1252","0.1379","","","","","","1.081","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019959","7.9925","0.0003","12.1761","0.0005","14.2313","0.0006","93.549","0.002","95.52","0.002","101.602","0.002","1345.67","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-[2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]benzo[<i>de</i>]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate","","- C30 H25 Cl N2 O5 S -","- C30 H25 Cl N2 O5 S -","- C60 H50 Cl2 N4 O10 S2 -","2","1","HB7354","Çelik, Ísmail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Rad, Javad Ameri; Çelik, Ömer","Crystal structure of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]benzo[de]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o129","","10.1107/S2056989015001425","","","0.71073","MoKα","","0.0786","0.0608","","","0.172","0.1907","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","136884","2020-10-21","18:00:00",""
"2019960","6.871","0.0004","10.7188","0.0006","14.9178","0.0007","103.569","0.004","93.094","0.004","105.878","0.005","1019.03","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[1-(2-Hydroxypropyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]benzoic acid","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C50 H44 N4 O6 -","2","1","HB7338","Jasinski, Jerry P.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 4-[1-(2-hydroxypropyl)-4,5-diphenyl-1H-imidazol-2-yl]benzoic acid","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o77","","10.1107/S2056989014027078","","","1.54184","CuKα","","0.0574","0.0482","","","0.1269","0.1358","","","","","","1.02","","","","has coordinates,has Fobs","136888","2020-10-21","18:00:00",""
"2019961","12.3449","0.0006","13.4266","0.0006","15.7404","0.0007","72.926","0.004","67.39","0.004","76.824","0.004","2282.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-[(<i>E</i>)-(4-Nitrobenzylidene)amino]phenol","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","4","HB7349","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Ebrahimi, Edris; Büyükgüngör, Orhan","Crystal structure of 4-[(E)-(4-nitrobenzylidene)amino]phenol","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o113","","10.1107/S2056989015000511","","","0.71073","MoKα","","0.1366","0.0697","","","0.1665","0.1967","","","","","","0.957","","","","has coordinates,has disorder,has Fobs","136895","2020-10-21","18:00:00",""
"2019971","8.1623","0.0007","12.5953","0.0009","13.251","0.0008","90","","90.226","0.003","90","","1362.28","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate","","- C13 H12 Br N3 O3 -","- C13 H12 Br N3 O3 -","- C52 H48 Br4 N12 O12 -","4","1","SU5132","Sravya, S.; Sruthy, S.; Aiswarya, N.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","7","734","","10.1107/S2056989015009627","","","0.71073","MoKα","","0.0671","0.036","","","0.0909","0.1022","","","","","","0.989","","","","has coordinates,has Fobs","138433","2020-10-21","18:00:00",""
"2020017","22.2647","0.0016","14.6139","0.0011","18.6288","0.0014","90","","102.447","0.001","90","","5918.9","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[1,1'''-Bis(pyrimidin-2-yl)-4,4':2',2'':4'',4'''-quaterpyridine-1,1'''-diium-κ^2^<i>N</i>^1'^,<i>N</i>^1''^]bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate","","- C56 H45 F18 Ir N13 P3 -","- C56 H45 F18 Ir N13 P3 -","- C224 H180 F72 Ir4 N52 P12 -","4","1","ZL2625","Coe, Benjamin J.; Peers, Martyn K.; Raftery, James; Scrutton, Nigel S.","Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ2N1′,N1′′]bis[2-(pyridin-2-yl)phenyl-κ2N,C1]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","8","879","","10.1107/S2056989015012463","","","0.71073","MoKα","","0.052","0.0407","","","0.0891","0.0926","","","","","","0.998","","","","has coordinates,has Fobs","139968","2020-10-21","18:00:00",""
"2020085","10.9786","0.0003","10.9374","0.0003","23.5429","0.0005","90","","97.554","0.002","90","","2802.43","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6,12,12-Tetrachlorotricyclo[8.2.0.0^4,7^]dodecane-5,11-dione","","- C12 H12 Cl4 O2 -","- C12 H12 Cl4 O2 -","- C96 H96 Cl32 O16 -","8","2","XU5862","Turan Akın, Esra; Hökelek, Tuncer","Crystal structure of 6,6,12,12-tetrachlorotricyclo[8.2.0.04,7]dodecane-5,11-dione","Acta Crystallographica Section E Crystallographic Communications","2015","71","9","1000","","10.1107/S2056989015014383","","","0.71073","MoKα","","0.1102","0.0643","","","0.116","0.1309","","","","","","1.104","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020127","9.682","0.0006","10.654","0.0003","23.3676","0.0007","90","","97.184","0.01","90","","2391.49","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(±)-<i>N</i>-[(1<i>RS</i>,2<i>RS</i>,4<i>RS</i>)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl]acetamide","","- C12 H21 N O -","- C12 H21 N O -","- C96 H168 N8 O8 -","8","2","","Stepanovs, Dmitrijs; Posevins, Daniels; Turks, Maris","Crystal structures of two (±)-exo-N-isobornylacetamides","Acta Crystallographica Section E Crystallographic Communications","2015","71","10","1117","","10.1107/S2056989015015984","","","0.71073","MoKα","","0.1175","0.0647","","","0.1441","0.1594","","","","","","1.05","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020128","9.6852","0.0002","10.7589","0.0003","23.7261","0.0008","90","","90","","90","","2472.31","0.12","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","(±)-2-Chloro-<i>N</i>-[(1<i>RS</i>,2<i>RS</i>,4<i>RS</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]acetamide","","- C12 H20 Cl N O -","- C12 H20 Cl N O -","- C96 H160 Cl8 N8 O8 -","8","1","","Stepanovs, Dmitrijs; Posevins, Daniels; Turks, Maris","Crystal structures of two (±)-exo-N-isobornylacetamides","Acta Crystallographica Section E Crystallographic Communications","2015","71","10","1117","","10.1107/S2056989015015984","","","0.71073","MoKα","","0.1575","0.0726","","","0.1335","0.1596","","","","","","1.021","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020282","11.0317","0.001","11.8701","0.001","11.122","0.0009","90","","118.675","0.002","90","","1277.78","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5-Chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-<i>b</i>]pyridin-5-yl)methanone","","- C14 H9 Cl N2 O3 -","- C14 H9 Cl N2 O3 -","- C56 H36 Cl4 N8 O12 -","4","1","SU5220","Raja, Rajamani; Poomathi, Nataraj; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone","Acta Crystallographica Section E Crystallographic Communications","2015","71","11","o875","","10.1107/S2056989015019635","","","0.71073","MoKα","","0.0669","0.0477","","","0.0905","0.1103","","","","","","1.131","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020285","11.6622","0.0009","14.0738","0.0011","15.6906","0.001","82.472","0.006","84.831","0.006","75.009","0.007","2462","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1',6,6'-Tetrahydroxy-5,5'-diisopropyl-8,8'-bis{[(4-methoxyphenyl)iminiumyl]methyl}-3,3'-dimethyl-2,2'-binaphthalene-7,7'-diolate","","- C44 H44 N2 O8 -","- C44 H44 N2 O8 -","- C88 H88 N4 O16 -","2","1","HB7516","Honkeldieva, Muhabbat T.; Talipov, Samat A.; Kunafiev, Rishad; Ibragimov, Bakhtiyar T.","Crystal structure of bis-p-anizidinegossypol with an unknown solvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","12","1421","","10.1107/S2056989015020393","","","1.54184","CuKα","","0.1381","0.0507","","","0.1081","0.1243","","","","","","0.649","","","","has coordinates,has Fobs","170174","2020-10-21","18:00:00",""
"2020308","15.1305","0.0007","14.2921","0.0006","11.6939","0.0005","90","","117.37","0.002","90","","2245.69","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium [(chloridocadmate)-di-μ-chlorido]]","","- C5 H14 Cd Cl3 N3 -","- C5 H14 Cd Cl3 N3 -","- C40 H112 Cd8 Cl24 N24 -","8","1","WM5207","Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry","Crystal structure of <i>catena</i>-poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium [(chloridocadmate)-di-μ-chlorido]]","Acta Crystallographica Section E","2016","72","1","1","3","10.1107/S2056989015020836","","","1.34139","GaKα","","0.0165","0.0164","","","0.0396","0.0397","","","","","","1.129","","","","has coordinates,has Fobs","176644","2020-10-21","18:00:00",""
"2020316","7.827","0.003","15.534","0.005","15.886","0.006","88.82","0.02","89.093","0.018","77.266","0.018","1883.5","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","pyrazoxyfen","2-{[4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-1<i>H</i>-pyrazol-5-yl]oxy}-1-phenylethan-1-one","","- C20 H16 Cl2 N2 O3 -","- C20 H16 Cl2 N2 O3 -","- C80 H64 Cl8 N8 O12 -","4","2","HG5466","Kwon, Eunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho","Crystal structure of pyrazoxyfen","Acta Crystallographica Section E Crystallographic Communications","2015","71","12","o1033","","10.1107/S2056989015023233","","","0.71073","MoKα","","0.099","0.0486","","","0.0949","0.1087","","","","","","0.989","","","","has coordinates,has Fobs","171470","2020-10-21","18:00:00",""
"2020387","12.0962","0.0003","7.87839","0.00017","20.4041","0.0004","90","","94.829","0.002","90","","1937.58","0.07","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(nitrato-κ<i>O</i>)dioxido{2-[3-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-1,2,4-triazol-5-yl-κ<i>N</i>^4^]phenolato-κ<i>O</i>}uranium(VI) acetonitrile monosolvate monohydrate","","- C15 H16 N6 O8 U -","- C15 H16 N6 O8 U -","- C60 H64 N24 O32 U4 -","4","1","","Vashchenko, Oleksandr; Raspertova, Ilona; Dyakonenko, Viktoriya; Shishkina, Svitlana; Khomenko, Dmytro; Doroschuk, Roman; Lampeka, Rostislav","Crystal structure of aqua(nitrato-κ<i>O</i>)dioxido{2-[3-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-1,2,4-triazol-5-yl-κ<i>N</i>^4^]phenolato-κ<i>O</i>}uranium(VI) acetonitrile monosolvate monohydrate","Acta Crystallographica Section E","2016","72","2","111","113","10.1107/S205698901502438X","","","0.71073","MoKα","","0.0353","0.0287","","","0.0611","0.0635","","","","","","1.045","","","","has coordinates,has Fobs","177479","2020-10-21","18:00:00",""
"2020412","6.5063","0.0002","10.5966","0.0003","13.2066","0.0004","105.951","0.001","92.065","0.001","96.55","0.001","867.59","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","Bis(1,4-diazabicyclo[2.2.2]octan-1-ium) thiosulfate dihydrate","","- C12 H30 N4 O5 S2 -","- C12 H30 N4 O5 S2 -","- C24 H60 N8 O10 S4 -","2","1","WM5264","Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Maris, Thierry","Crystal structure of bis(1,4-diazabicyclo[2.2.2]octan-1-ium) thiosulfate dihydrate","Acta Crystallographica Section E","2016","72","3","273","275","10.1107/S2056989016001535","","","1.34139","GaKα","","0.03","0.0294","","","0.0783","0.0791","","","","","","1.066","","","","has coordinates,has Fobs","181476","2020-10-21","18:00:00",""
"2020428","21.4036","0.0008","5.7673","0.0002","19.5525","0.0007","90","","92.135","0.001","90","","2411.9","0.15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(3-Fluorobenzoyl)benzenesulfonamide","","- C13 H10 F N O3 S -","- C13 H10 F N O3 S -","- C104 H80 F8 N8 O24 S8 -","8","1","HB7565","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Lakshmikantha, H. N.; Srivishnu, K. S.; Supriya, G. M.","Crystal structures of <i>N</i>-(3-fluorobenzoyl)benzenesulfonamide and <i>N</i>-(3-fluorobenzoyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2016","72","4","428","431","10.1107/S2056989016003248","","","1.54178","CuKα","","0.044","0.0419","","","0.1289","0.1332","","","","","","0.98","","","","has coordinates,has Fobs","182547","2020-10-21","18:00:00",""
"2020429","9.0376","0.0004","12.2912","0.0005","12.1377","0.0005","90","","105.107","0.002","90","","1301.7","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Fluorobenzoyl)-4-methylbenzenesulfonamide","","- C14 H12 F N O3 S -","- C14 H12 F N O3 S -","- C56 H48 F4 N4 O12 S4 -","4","1","HB7565","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Lakshmikantha, H. N.; Srivishnu, K. S.; Supriya, G. M.","Crystal structures of <i>N</i>-(3-fluorobenzoyl)benzenesulfonamide and <i>N</i>-(3-fluorobenzoyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2016","72","4","428","431","10.1107/S2056989016003248","","","1.54178","CuKα","","0.0575","0.0499","","","0.1459","0.1517","","","","","","1.052","","","","has coordinates,has Fobs","182547","2020-10-21","18:00:00",""
"2020453","14.9328","0.0002","6.01143","0.0001","33.9985","0.0007","90","","102.601","0.0017","90","","2978.45","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-(+)-2-{[(1-Phenylethyl)imino]methyl}naphthalene","","- C19 H17 N -","- C19 H17 N -","- C152 H136 N8 -","8","4","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.0543","0.0392","","","0.0829","0.092","","","","","","1.036","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020454","6.0946","0.0005","7.5732","0.0005","34.046","0.003","90","","90","","90","","1571.4","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-({[(4-Methylphenyl)ethyl]imino}methyl)naphthalene","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.068","0.0443","","","0.1002","0.1117","","","","","","1.076","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020455","6.1094","0.0005","7.7266","0.0007","34.225","0.004","90","","90","","90","","1615.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-(‒)-2-({[(4-Methoxylphenyl)ethyl]imino}methyl)naphthalene","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.132","0.0628","","","0.1222","0.1546","","","","","","1.081","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020456","7.595","0.0011","5.8997","0.0009","16.996","0.003","90","","99.42","0.015","90","","751.3","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>R</i>)-(‒)-2-({[(4-Fluorophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 F N -","- C19 H16 F N -","- C38 H32 F2 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.1136","0.0655","","","0.1352","0.153","","","","","","1.252","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020457","6.0567","0.0005","7.6139","0.0005","33.853","0.003","90","","90","","90","","1561.1","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-({[(4-Chlorophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 Cl N -","- C19 H16 Cl N -","- C76 H64 Cl4 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.0811","0.0567","","","0.1246","0.1386","","","","","","1.068","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020458","6.0526","0.0002","7.6671","0.0004","33.9712","0.0019","90","","90","","90","","1576.46","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-({[(4-Bromophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 Br N -","- C19 H16 Br N -","- C76 H64 Br4 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.0837","0.044","","","0.0832","0.0979","","","","","","1.02","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020459","7.8555","0.0005","7.8724","0.0004","14.0494","0.0009","90","","99.859","0.006","90","","856.01","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-(+)-2-({[1-(Naphthalen-1-yl)ethyl]imino}methyl)naphthalene","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.098","0.0481","","","0.0958","0.1185","","","","","","1.013","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020460","15.406","0.003","5.9722","0.0007","36.002","0.007","90","","102.058","0.018","90","","3239.4","1","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-(+)-2-{[(1-Cyclohexylethyl)imino]methyl}naphthalene","","- C19 H23 N -","- C19 H23 N -","- C152 H184 N8 -","8","4","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.1929","0.0782","","","0.1573","0.2306","","","","","","0.993","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020461","7.7571","0.0013","5.9246","0.001","17.82","0.004","90","","92.682","0.016","90","","818.1","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-(‒)-2-{[(1,2,3,4-Tetrahydronaphthalen-1-yl)imino]methyl}naphthalene","","- C21 H19 N -","- C21 H19 N -","- C42 H38 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.7107","MoKα","","0.108","0.0691","","","0.1566","0.1751","","","","","","1.442","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020462","6.32427","0.00018","14.4559","0.0003","18.5421","0.0005","90","","90","","90","","1695.17","0.08","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-2-({[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-2,6,6-Trimethylbicyclo[3.1.1]hept-3-yl]imino}methyl}naphthalene","","- C21 H25 N -","- C21 H25 N -","- C84 H100 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.0526","0.0407","","","0.0956","0.1032","","","","","","1.034","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020463","6.307","0.0007","14.9614","0.0018","8.9198","0.0011","90","","93.457","0.001","90","","840.15","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-hydroxy-6-oxocyclohexa-2,4-dien-1-iminium chloride monohydrate","","- C6 H9 Cl N2 O3 -","- C6 H9 Cl N2 O3 -","- C24 H36 Cl4 N8 O12 -","4","1","SJ5497","Plater, M. John; Harrison, William T. A.","A purple odyssey: synthesis and structure of 3-amino-4-hydroxy-6-oxocyclohexa-2,4-dien-1-iminium chloride monohydrate","Acta Crystallographica Section E","2016","72","5","604","607","10.1107/S2056989016005107","","","0.71073","MoKα","","0.082","0.0721","","","0.1546","0.1586","","","","","","1.222","","","","has coordinates,has Fobs","183646","2020-10-21","18:00:00",""
"2020500","9.3079","0.0017","9.4339","0.0017","15.195","0.003","90","","107.835","0.002","90","","1270.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methyl-1<i>H</i>imidazol-3-ium picrate","4-Methyl-1<i>H</i>-imidazol-3-ium 2,4,6-trinitrophenolate","","- C10 H9 N5 O7 -","- C10 H9 N5 O7 -","- C40 H36 N20 O28 -","4","1","LH5809","Song, Xue-gang; Su, Ping; Xu, Xing-man","Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate","Acta Crystallographica Section E Crystallographic Communications","2016","72","6","772","","10.1107/S205698901600712X","","","0.71073","MoKα","","0.0866","0.0524","","","0.1022","0.1103","","","","","","1.035","","","","has coordinates,has Fobs","182568","2020-10-21","18:00:00",""
"2020523","12.8263","0.0009","7.1879","0.0003","12.2478","0.0009","90","","98.936","0.006","90","","1115.47","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-thiocyanato-bis[diamminesilver(I)]","","- C2 H12 Ag2 N6 S2 -","- C2 H12 Ag2 N6 S2 -","- C8 H48 Ag8 N24 S8 -","4","0.5","WM5294","Müller, Thomas G.; Kraus, Florian","Crystal structure of Ag~2~(μ-SCN)~2~(NH~3~)~4~","Acta Crystallographica Section E","2016","72","7","881","883","10.1107/S2056989016008823","","","0.71073","MoKα","","0.0315","0.0289","","","0.0598","0.061","","","","","","1.107","","","","has coordinates,has Fobs","185024","2020-10-21","18:00:00",""
"2020548","12.7038","0.0001","16.5265","0.0002","16.683","0.0002","90","","109.774","0.001","90","","3296.05","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Diaquahexakis(μ-4-chloropyrazolato-κ^2^<i>N</i>:<i>N</i>')bis(<i>N</i>,<i>N</i>-dimethylformamide)di-μ~3~-hydroxido-bis(μ~4~-sulfato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'')hexacopper(II) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate dihydrate","","- C36 H64 Cl6 Cu6 N18 O20 S2 -","- C36 H64 Cl6 Cu6 N18 O20 S2 -","- C72 H128 Cl12 Cu12 N36 O40 S4 -","2","0.5","GK2663","Mezei, Gellert","Sulfate-bridged dimeric trinuclear copper(II)‒pyrazolate complex with three different terminal ligands","Acta Crystallographica Section E Crystallographic Communications","2016","72","8","1064","","10.1107/S2056989016010719","","","0.71073","MoKα","","0.0595","0.0351","","","0.0672","0.0751","","","","","","1.014","","","","has coordinates,has Fobs","184289","2020-10-21","18:00:00",""
"2020595","16.6906","0.0014","9.1942","0.0008","21.0159","0.0017","90","","95.501","0.002","90","","3210.2","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[dichloridomercury(II)]-μ-<i>N</i>- (pyridin-4-ylmethyl)pyridin-3-amine-κ^2^<i>N</i>:<i>N</i>'] chloroform hemisolvate]","","- C11.5 H11.5 Cl3.5 Hg N3 -","- C11.5 H11.5 Cl3.5 Hg N3 -","- C92 H92 Cl28 Hg8 N24 -","8","1","","Moon, Suk-Hee; Kang, Donghyun; Park, Ki-Min","Crystal structure of an Hg^II^ coordination polymer with an unsymmetrical dipyridyl ligand: <i>catena</i>-poly[[[dichloridomercury(II)]-μ-<i>N</i>-(pyridin-4-ylmethyl)pyridin-3-amine-κ^2^<i>N</i>:<i>N</i>'] chloroform hemisolvate]","Acta Crystallographica Section E","2016","72","11","1513","1516","10.1107/S2056989016015310","","","0.71073","MoKα","","0.0626","0.0328","","","0.0658","0.0735","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","188958","2020-10-21","18:00:00",""
"2020650","7.3989","0.0005","24.491","0.0017","7.7126","0.0005","90","","96.022","0.002","90","","1389.86","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(2-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","HG5478","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.","Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides","Acta Crystallographica Section E","2016","72","12","1677","1682","10.1107/S2056989016016856","","","0.71073","MoKα","","0.0569","0.0406","","","0.0987","0.1056","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","189974","2020-10-21","18:00:00",""
"2020651","5.6629","0.0004","15.6864","0.0011","15.2842","0.0011","90","","93.38","0.0018","90","","1355.34","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(3-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","HG5478","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.","Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides","Acta Crystallographica Section E","2016","72","12","1677","1682","10.1107/S2056989016016856","","","0.71073","MoKα","","0.0374","0.0335","","","0.0931","0.0955","","","","","","1.08","","","","has coordinates,has Fobs","189974","2020-10-21","18:00:00",""
"2020652","6.1893","0.0004","12.9177","0.0009","17.3828","0.0012","93.995","0.007","90.386","0.006","95.963","0.007","1378.77","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(4-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","2","HG5478","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.","Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides","Acta Crystallographica Section E","2016","72","12","1677","1682","10.1107/S2056989016016856","","","0.71073","MoKα","","0.0724","0.0575","","","0.1517","0.1657","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","189974","2020-10-21","18:00:00",""
"2020683","9.6931","0.0019","15.699","0.003","14.614","0.003","90","","108.99","0.03","90","","2102.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)","","- C21 H18 Br2 N4 O3 -","- C21 H18 Br2 N4 O3 -","- C84 H72 Br8 N16 O12 -","4","1","WM5334","Wang, Bang Zhong; Zhou, Jun Ping; Zhou, Yong; Luo, Jian Song; Yang, Jun Jie; Chi, Shao M.ing","Crystal structure of <i>N</i>-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)","Acta Crystallographica Section E","2017","73","1","1","3","10.1107/S2056989016019034","","","0.71073","MoKα","","0.1538","0.0616","","","0.1193","0.1477","","","","","","0.978","","","","has coordinates,has Fobs","191425","2020-10-21","18:00:00",""
"2020703","18.7651","0.001","6.9193","0.0004","17.259","0.001","90","","90","","90","","2240.9","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(<i>E</i>)-2,6-Di-<i>tert</i>-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C84 H104 N16 O20 -","4","0.5","","Faizi, Md. Serajul Haque; Dege, Necmi; Haque, Ashanul; Kalibabchuk, Valentina A.; Cemberci, Mustafa","Crystal structure of (E)-2,6-di-tert-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E Crystallographic Communications","2017","73","2","96","","10.1107/S2056989016020107","","","0.71073","MoKα","","0.1842","0.0712","","","0.1633","0.2146","","","","","","0.963","","","","has coordinates,has Fobs","189993","2020-10-21","18:00:00",""
"2020739","8.5376","0.0004","15.22","0.001","12.1214","0.0006","90","","96.195","0.006","90","","1565.88","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(4-cyanopyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)iron(II) 4-cyanopyridine disolvate","","- C26 H20 Fe N10 O2 S2 -","- C26 H20 Fe N10 O2 S2 -","- C52 H40 Fe2 N20 O4 S4 -","2","0.5","WM5371","Jochim, Aleksej; Jess, Inke; Näther, Christian","Crystal structure of diaquabis(4-cyanopyridine-κN)bis(thiocyanato-κN)iron(II) 4-cyanopyridine disolvate","Acta Crystallographica Section E Crystallographic Communications","2017","73","4","463","","10.1107/S205698901700322X","","","0.71073","MoKα","","0.0511","0.0373","","","0.088","0.0936","","","","","","1.034","","","","has coordinates,has Fobs","194089","2020-10-21","18:00:00",""
"2020828","4.3677","0.0006","14.0232","0.0012","15.1816","0.0018","90","","96.153","0.016","90","","924.5","0.19","153","2","153","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>^2^,<i>N</i>^3^-Bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide","","- C18 H20 N6 O4 -","- C18 H20 N6 O4 -","- C36 H40 N12 O8 -","2","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.1135","0.0506","","","0.1076","0.1224","","","","","","0.767","","","","has coordinates,has Fobs","199112","2020-10-21","18:00:00",""
"2020829","14.9776","0.0016","17.3228","0.0012","29.57","0.004","90","","90","","90","","7672.1","1.4","153","2","153","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Poly[[[μ~4~-<i>N</i>^2^,<i>N</i>^3^-bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide]silver(I)] nitrate]","","- C18 H16 Ag N7 O5 -","- C18 H16 Ag N7 O5 -","- C288 H256 Ag16 N112 O80 -","16","","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.089","0.0454","","","0.0977","0.1069","","","","","","0.903","","","","has coordinates,has disorder,has Fobs","199112","2020-10-21","18:00:00",""
"2020830","8.0209","0.0003","14.5364","0.0005","25.0008","0.0008","90","","98.499","0.001","90","","2882.96","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-<i>N</i>-[(2-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","2","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0498","0.0488","","","0.1376","0.1389","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","199121","2020-10-21","18:00:00",""
"2020831","9.6085","0.0004","10.3246","0.0005","27.7296","0.0013","90","","90","","90","","2750.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-<i>N</i>-[(4-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0504","0.0499","","","0.1374","0.138","","","","","","1.124","","","","has coordinates,has Fobs","199121","2020-10-21","18:00:00",""
"2020839","5.9124","0.0002","17.6155","0.0005","20.3351","0.0006","90","","96.563","0.003","90","","2104.02","0.11","295","2","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(1-{4-[2-(2,4-Dihydroxyphenyl)diazen-1-yl]phenyl}ethylidene)amino]thiourea 1,1,2,2-tetrachloroethane monosolvate","","- C17 H17 Cl4 N5 O2 S -","- C17 H17 Cl4 N5 O2 S -","- C68 H68 Cl16 N20 O8 S4 -","4","1","HB7686","Riyadh, Sayed; Hughes, David L.; Said, Musa A.","Crystal structure of a 1,1,2,2-tetrachloroethane-solvated hydrazinecarbothioamide compound","Acta Crystallographica Section E Crystallographic Communications","2017","73","9","1271","","10.1107/S2056989017010830","","","0.71073","Mo-Kα","","0.0865","0.0764","","","0.1967","0.2035","","","","","","1.087","","","","has coordinates,has Fobs","199460","2020-10-21","18:00:00",""
"2020877","7.3257","0.0015","9.0188","0.0018","15.578","0.003","81.7","0.03","77.64","0.03","68.9","0.03","935.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis{μ~2~-4,4'-bis[(1,2,4-triazol-1-yl)methyl]biphenyl-κ^2^<i>N</i>^4^:<i>N</i>^4'^}bis(nitrato-κ<i>O</i>)zinc(II)]","","- C36 H32 N14 O6 Zn -","- C36 H32 N14 O6 Zn -","- C36 H32 N14 O6 Zn -","1","0.5","VN2130","Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping","A two-dimensional Zn coordination polymer with a three-dimensional supramolecular architecture","Acta Crystallographica Section E Crystallographic Communications","2017","73","10","1402","","10.1107/S2056989017012452","","","0.71073","MoKα","","0.0664","0.0509","","","0.1295","0.1434","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","200207","2020-10-21","18:00:00",""
"2020896","7.7103","0.0007","12.7416","0.0011","14.2187","0.0012","75.1572","0.0011","77.8324","0.0011","73.4904","0.0011","1280.16","0.19","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","Tribenzylbis(tetrahydrofuran-κ<i>O</i>)lutetium(III)","","- C29 H37 Lu O2 -","- C29 H37 Lu O2 -","- C58 H74 Lu2 O4 -","2","1","","Saliu, Kuburat O.; Takats, Josef; McDonald, Robert","Crystal structure of tribenzylbis(tetrahydrofuran-κO)lutetium(III)","Acta Crystallographica Section E Crystallographic Communications","2018","74","2","88","","10.1107/S2056989017018254","","","0.71073","MoKα","","0.025","0.0213","","","0.0494","0.0506","","","","","","1.071","","","","has coordinates,has Fobs","205167","2020-10-21","18:00:00",""
"2020997","7.3991","0.0015","10.637","0.002","11.931","0.002","93.65","0.03","107.37","0.03","108.11","0.03","839","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","8-(4-Methylphenyl)-2'-deoxyadenosine hemihydrate","","- C17 H20 N5 O3.5 -","- C17 H20 N5 O3.5 -","- C34 H40 N10 O7 -","2","2","ZP2024","Ardhapure, Ajaykumar V.; Sanghvi, Yogesh S.; Borozdina, Yulia; Kapdi, Anant Ramakant; Schulzke, Carola","Crystal structure of 8-(4-methylphenyl)-2'-deoxyadenosine hemihydrate","Acta Crystallographica Section E","2018","74","1","1","5","10.1107/S2056989017017212","","","0.71073","MoKα","","0.0673","0.0413","","","0.095","0.1098","","","","","","0.996","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021001","4.7089","0.0002","9.676","0.0004","12.1952","0.0005","93.387","0.003","92.165","0.002","103.18","0.002","539.32","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-dibenzyl-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","1","0.5","","Im, Hansu; Kim, Jineun; Sim, Changeun; Kim, Tae Ho","Crystal structure of N,N′-dibenzyl-3,3′-dimethoxybenzidine","Acta Crystallographica Section E Crystallographic Communications","2018","74","3","271","","10.1107/S2056989018001688","","","0.71073","MoKα","","0.0526","0.0483","","","0.1414","0.1451","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","206075","2020-10-21","18:00:00",""
"2021116","8.425","0.001","8.425","0.001","54.749","0.011","90","","90","","120","","3365.5","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","rubidium iron bis(hydrogen arsenate)","Rubidium iron bis[hydrogen arsenate(V)]","","- As2 Fe H2 O8 Rb -","- As2 Fe H2 O8 Rb -","- As36 Fe18 H36 O144 Rb18 -","18","0.5","PJ2051","Schwendtner, Karolina; Kolitsch, Uwe","RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types","Acta Crystallographica Section E Crystallographic Communications","2018","74","6","766","","10.1107/S2056989018006473","","","0.71073","MoKα","","0.0246","0.0206","","","0.0506","0.0519","","","","","","1.115","","","","has coordinates,has Fobs","207602","2020-10-21","18:00:00",""
"2021117","7.346","0.002","9.148","0.002","9.662","0.002","64.89","0.03","70.51","0.03","69.94","0.03","538.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","thallium iron bis(hydrogen arsenate)","Thallium iron bis[hydrogen arsenate(V)]","","- As2 Fe H2 O8 Tl -","- As2 Fe H2 O8 Tl0.999867 -","- As6 Fe3 H6 O24 Tl2.9996 -","3","1.5","","Schwendtner, Karolina; Kolitsch, Uwe","RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types","Acta Crystallographica Section E Crystallographic Communications","2018","74","6","766","","10.1107/S2056989018006473","","","0.71073","MoKα","","0.0293","0.0224","","","0.0487","0.0508","","","","","","1.058","","","","has coordinates,has Fobs","207602","2020-10-21","18:00:00",""
"2021177","7.545","0.0015","23.19","0.005","8.337","0.0017","90","","103.32","0.03","90","","1419.5","0.5","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,14-Dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0^7,12^]docosane tetrachloride tetrahydrate","","- C20 H52 Cl4 N4 O4 -","- C20 H52 Cl4 N4 O4 -","- C40 H104 Cl8 N8 O8 -","2","0.5","SJ5559","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data","Acta Crystallographica Section E Crystallographic Communications","2018","74","8","1039","","10.1107/S2056989018009337","","","0.63","synchrotron","","0.048","0.0462","","","0.1397","0.1413","","","","","","1.139","","","","has coordinates,has Fobs","208940","2020-10-21","18:00:00",""
"2021207","8.944","0.002","10.797","0.003","20.52","0.005","90","","90","","90","","1981.6","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1'-Diformylruthenocene","","- C12 H10 O2 Ru -","- C12 H10 O2 Ru -","- C96 H80 O16 Ru8 -","8","2","ZP2025","Anzaldo, Bertin; Sharma, Pankaj; Lara Ochoa, Francisco; Villamizar C., Claudia P.; Gutiérrez Pérez, René","X-ray structure analysis of symmetrically substituted 1,1′-diformylruthenocene","Acta Crystallographica Section E Crystallographic Communications","2018","74","9","1186","","10.1107/S2056989018010642","","","0.71073","MoKα","","0.0668","0.0528","","","0.1111","0.1233","","","","","","1.025","","","","has coordinates,has Fobs","209711","2020-10-21","18:00:00",""
"2021225","7.3066","0.0006","11.5182","0.0009","20.2701","0.0017","90","","93.673","0.002","90","","1702.4","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]malonate","Diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]propanedioate","","- C18 H23 F O5 -","- C18 H23 F O5 -","- C72 H92 F4 O20 -","4","1","YK2116","Chandrashekharappa, Sandeep; Bairagi, Keshab M.; Mohan, Mahendra K.; Venugopala, Katharigatta N.; Nayak, Susanta K.","Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]malonate","Acta Crystallographica Section E","2018","74","10","1388","1391","10.1107/S2056989018012094","","","0.71073","MoKα","","0.0706","0.0422","","","0.091","0.1043","","","","","","1.025","","","","has coordinates,has Fobs","211792","2020-10-21","18:00:00",""
"2021246","9.4036","0.0002","21.1588","0.0004","15.0319","0.0003","90","","102.221","0.002","90","","2923.1","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloridobis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}{2-methoxy-6-[(methylimino)methyl]phenolato}cadmium(II)cobalt(III) monohydrate","","- C27 H32 Cd Cl2 Co N3 O7 -","- C27 H32 Cd Cl2 Co N3 O7 -","- C108 H128 Cd4 Cl8 Co4 N12 O28 -","4","1","LH5882","Vassilyeva, Olga Yu.; Kasyanova, Katerina V.; Kokozay, Vladimir N.; Skelton, Brian W.","Crystal structure of dichloridobis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}{2-methoxy-6-[(methylimino)methyl]phenolato}cadmium(II)cobalt(III) monohydrate","Acta Crystallographica Section E Crystallographic Communications","2018","74","11","1532","","10.1107/S2056989018013610","","x-ray","1.54178","CuKα","","0.0574","0.046","","","0.1095","0.1173","","","","","","1.02","","","","has coordinates,has Fobs","211296","2020-10-21","18:00:00",""
"2021414","8.2311","0.0001","13.322","0.0002","22.7038","0.0003","90","","95.864","0.002","90","","2476.55","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-Dithiodibenzoic acid‒benzoic acid (1/2)","","- C28 H22 O8 S2 -","- C28 H22 O8 S2 -","- C112 H88 O32 S8 -","4","0.5","HB7790","Tan, Sang Loon; Tiekink, Edward R. T.","A 1:2 co-crystal of 2,2′-dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","1","","10.1107/S2056989018017097","","x-ray","1.54184","CuKα","","0.0401","0.0392","","","0.1082","0.1091","","","","","","1.082","","","","has coordinates,has Fobs","212550","2020-10-21","18:00:00",""
"2021424","18.3264","0.0003","13.6459","0.0002","19.301","0.0004","90","","101.803","0.001","90","","4724.74","0.14","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloridocyanidohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,3λ^5^,5λ^4^,7-tetraphospha-κ^2^<i>P</i>^1^,<i>P</i>^7^-hept-3-en-4-yl)iridium(III) acetonitrile monosolvate","","- C54 H48 Cl Ir N2 P4 -","- C54 H48 Cl Ir N2 P4 -","- C216 H192 Cl4 Ir4 N8 P16 -","4","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.0671","0.0399","","","0.0643","0.069","","","","","","1.028","","","","has coordinates,has Fobs","212654","2020-10-21","18:00:00",""
"2021425","28.1283","0.0003","19.0989","0.0002","23.6339","0.0002","90","","90","","90","","12696.6","0.2","233","2","233","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[7-(4-Chlorophenyl)-1,1,3,3-tetraphenyl-5,6,7-triaza-κ<i>N</i>^7^-1,3λ^4^-diphospha-κ<i>P</i>^1^-hepta-4,6-dien-4-yl][methylenebis(diphenylphosphine)-κ^2^<i>P</i>,<i>P</i>']iridium(I) chloride‒dichloromethane‒toluene (2/3/1)","","- C62 H55 Cl5 Ir N3 P4 -","- C62 H55 Cl5 Ir N3 P4 -","- C496 H440 Cl40 Ir8 N24 P32 -","8","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.0561","0.0423","","","0.1169","0.1264","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","212654","2020-10-21","18:00:00",""
"2021426","11.1683","0.0001","12.7805","0.0002","20.0591","0.0003","98.475","0.001","93.122","0.001","109.336","0.001","2655.76","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","{4-[3-(4-Chlorophenyl)triazenido-κ<i>N</i>^3^]-1,1,3,3-tetraphenyl-1,3λ^5^-diphospha-κ<i>P</i>^1^-but-2-en-4-yl}cyanido[methylenebis(diphenylphosphine)-κ^2^<i>P</i>,<i>P</i>']iridium(III) methanol disolvate","","- C60 H56 Cl Ir N4 O2 P4 -","- C60 H56 Cl Ir N4 O2 P4 -","- C120 H112 Cl2 Ir2 N8 O4 P8 -","2","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.025","0.0228","","","0.0546","0.0556","","","","","","1.054","","","","has coordinates,has Fobs","212654","2020-10-21","18:00:00",""
"2021433","19.173","0.001","20.756","0.001","21.771","0.002","90","","110.718","0.002","90","","8103.6","0.9","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,8,14,20-Tetrahexyl-4,24:6,10:12,16:18,22-<i>O</i>,<i>O</i>'-tetrakis[2,3-dihydro-[1,4]dioxino[2,3-<i>g</i>]quinoxalin-7,8-diyl]resorcin[4]arene benzene monosolvate","","- C98 H94 N8 O16 -","- C98 H94 N8 O16 -","- C392 H376 N32 O64 -","4","0.5","HB7791","Pinalli, Roberta; Trzciński, Jakub W.; Dalcanale, Enrico; Massera, Chiara","A new, deep quinoxaline-based cavitand receptor for the complexation of benzene","Acta Crystallographica Section E Crystallographic Communications","2019","75","2","103","","10.1107/S2056989018017784","","","0.71073","MoKα","","0.069","0.0463","","","0.1075","0.1191","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","213111","2020-10-21","18:00:00",""
"2021536","9.8778","0.0011","12.872","0.0016","14.8025","0.0018","69.092","0.004","74.786","0.004","70.324","0.004","1633.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ-Oxalato)bis{[<i>N</i>,<i>N</i>'-bis(2-oxidobenzyl-κ<i>O</i>)-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl-κ<i>N</i>)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']gadolinium(III)}‒methanol‒water (1/4/4)","","- C62 H80 Gd2 N8 O16 -","- C60 H68 Gd2 N8 O12 -","- C60 H68 Gd2 N8 O12 -","1","0.5","WM5489","Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes","Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−)","Acta Crystallographica Section E Crystallographic Communications","2019","75","4","418","","10.1107/S2056989019002998","","","0.71073","MoKα","","0.0252","0.0199","","","0.0449","0.0464","","","","","","1.073","","","","has coordinates,has Fobs","214086","2020-10-21","18:00:00",""
"2021537","9.883","0.002","12.838","0.003","14.832","0.004","68.213","0.009","74.653","0.008","70.552","0.008","1626.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ-Oxalato)bis{[<i>N</i>,<i>N</i>'-bis(2-oxidobenzyl-κ<i>O</i>)-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl-κ<i>N</i>)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']dysprosium(III)}‒methanol‒water (1/4/4)","","- C62 H80 Dy2 N8 O16 -","- C60 H68 Dy2 N8 O12 -","- C60 H68 Dy2 N8 O12 -","1","0.5","","Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes","Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−)","Acta Crystallographica Section E Crystallographic Communications","2019","75","4","418","","10.1107/S2056989019002998","","","0.71073","MoKα","","0.0313","0.0246","","","0.0577","0.0596","","","","","","1.06","","","","has coordinates,has Fobs","214086","2020-10-21","18:00:00",""
"2021560","6.3503","0.0004","14.9583","0.0009","12.3127","0.0009","90","","97.149","0.003","90","","1160.49","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(2,2-difluoropropanethioato-κ<i>S</i>)manganese(I)","","- C8 H3 F2 Mn O6 S -","- C8 H3 F2 Mn O6 S -","- C32 H12 F8 Mn4 O24 S4 -","4","1","SU5491","Daran, Jean-Claude; Morales-Cerrada, Roberto; Fliedel, Christophe; Gayet, Florence; Ladmiral, Vincent; Ameduri, Bruno; Poli, Rinaldo","Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I)","Acta Crystallographica Section E Crystallographic Communications","2019","75","5","529","","10.1107/S2056989019004134","","","0.71073","MoKα","","0.0291","0.0232","","","0.0587","0.0619","","","","","","1.041","","","","has coordinates,has disorder","214469","2020-10-21","18:00:00",""
"2021615","14.358","0.006","17.333","0.007","38.902","0.019","90","","90","","90","","9681","7","296","2","296.15","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Dibutyl 5,5'-(pentane-3,3-diyl)bis(1<i>H</i>-pyrrole-5-carboxylate)","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C368 H544 N32 O64 -","16","","FF2158","Wang, Haijing; Yin, Zhenming","Crystal structure and Hirshfeld surface analysis of dibutyl 5,5′-(pentane-3,3-diyl)bis(1H-pyrrole-5-carboxylate)","Acta Crystallographica Section E Crystallographic Communications","2019","75","6","711","","10.1107/S205698901900567X","","","0.71073","MoKα","","0.1056","0.0806","","","0.2339","0.2782","","","","","","1.048","","","","has coordinates,has Fobs","214937","2020-10-21","18:00:00",""
"2021657","8.317","0.002","12.657","0.002","16.763","0.003","90","","90","","90","","1764.6","0.6","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(Diphenylphosphoryl)-2-methoxybenzamide","","- C20 H18 N O3 P -","- C20 H18 N O3 P -","- C80 H72 N4 O12 P4 -","4","1","LH5904","Trush, Victor A.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M.","Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide","Acta Crystallographica Section E Crystallographic Communications","2019","75","7","939","","10.1107/S205698901900762X","","x-ray","0.71073","MoKα","","0.0614","0.0434","","","0.1046","0.1129","","","","","","1.11","","","","has coordinates,has Fobs","215710","2020-10-21","18:00:00",""
"2021694","15.737","0.008","8.526","0.004","7.761","0.004","90","","100.45","0.02","90","","1024","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-Amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium chloride","","- C8 H6 Cl F3 N2 O S -","- C8 H6 Cl F3 N2 O S -","- C32 H24 Cl4 F12 N8 O4 S4 -","4","1","XI2017","Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak","Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride","Acta Crystallographica Section E Crystallographic Communications","2019","75","8","1084","","10.1107/S2056989019009022","","","0.71073","MoKα","","0.1174","0.0623","","","0.1307","0.1568","","","","","","1.075","","","","has coordinates,has Fobs","216703","2020-10-21","18:00:00",""
"2021695","8.0824","0.0019","11.788","0.003","19.745","0.005","78.449","0.009","84.378","0.008","89.318","0.009","1834.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","6-(Trifluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H5 F3 N2 O S -","- C8 H5 F3 N2 O S -","- C64 H40 F24 N16 O8 S8 -","8","4","","Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak","Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride","Acta Crystallographica Section E Crystallographic Communications","2019","75","8","1084","","10.1107/S2056989019009022","","","0.71073","MoKα","","0.1022","0.0564","","","0.113","0.1299","","","","","","1.025","","","","has coordinates,has Fobs","216703","2020-10-21","18:00:00",""
"2021760","7.3009","0.0008","11.0552","0.0011","30.006","0.003","90","","90","","90","","2421.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>R</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol","","- C30 H29 N O -","- C30 H29 N O -","- C120 H116 N4 O4 -","4","1","FF2162","Ben Ali, Karim; Retailleau, Pascal","Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol","Acta Crystallographica Section E Crystallographic Communications","2019","75","10","1399","","10.1107/S2056989019011964","","","0.71073","MoKα","","0.0443","0.0379","","","0.0791","0.0828","","","","","","1.072","","","","has coordinates,has Fobs","217959","2020-10-21","18:00:00",""
"2021794","9.9966","0.0012","9.9966","0.0012","7.9461","0.001","90","","90","","120","","687.68","0.15","120","2","120","2","","","","","","","","3","P 63 c m","P 6c -2","185","","2,4,6-Tricyclobutyl-1,3,5-trioxane","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","0.166667","KQ2025","Shorunov, Sergey V.; Bermeshev, Maxim V.; Demchuk, Dmitry V.; Nelyubina, Yulia V.","Synthesis and structure of 2,4,6-tricyclobutyl-1,3,5-trioxane","Acta Crystallographica Section E Crystallographic Communications","2019","75","11","1578","","10.1107/S205698901900896X","","","0.71073","MoKα","","0.0417","0.0406","","","0.107","0.1083","","","","","","1.026","","","","has coordinates","219178","2020-10-21","18:00:00",""
"2021971","6.1728","0.0003","12.3721","0.0006","13.6788","0.0007","84.302","0.002","80.846","0.002","80.909","0.002","1015.45","0.09","100","2","100","2","","","","","","","","3","P 1","P 1","1","Sclareol methanol monosolvate","(3<i>S</i>)-4-[(<i>S</i>)-3-Hydroxy-3-methylpent-4-en-1-yl]-3,4a,8,8-tetramethyldecahydronaphthalen-3-ol methanol monosolvate","","- C21 H40 O3 -","- C21 H40 O3 -","- C42 H80 O6 -","2","2","HB7890","Bibi, Memoona; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of the methanol solvate of sclareol, a labdane-type diterpenoid","Acta Crystallographica Section E Crystallographic Communications","2020","76","3","294","","10.1107/S2056989020001474","","","1.54178","CuKα","","0.0375","0.0373","","","0.11","0.1102","","","","","","1.014","","","","has coordinates,has Fobs","247943","2020-10-21","18:00:00",""
"2021993","8.4959","0.0002","9.6479","0.0002","8.7619","0.0002","90","","116.921","0.001","90","","640.36","0.03","299.16","","299.16","","","","","","","","","4","P 1 21 1","P 2yb","4","NA8","(<i>S</i>)-10-(Prop-2-yn-1-yl)pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11-dione","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","LH5947","Jeroundi, Dounia; Mazzah, Ahmed; Hökelek, Tuncer; El Hadrami, El Mestafa; Renard, Catherine; Haoudi, Amal; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione","Acta Crystallographica Section E Crystallographic Communications","2020","76","4","467","","10.1107/S2056989020002698","","","0.71073","MoKα","","0.0463","0.0389","","","0.0983","0.1032","","","","","","1.061","","","","has coordinates,has Fobs","248727","2020-10-21","18:00:00",""
"2022002","10.7997","0.0003","11.2319","0.0002","12.0225","0.0003","90","","95.184","0.002","90","","1452.38","0.06","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] bis(6-chloronicotinate) tetrahydrate]","","- C22 H30 Cl2 N4 Ni O12 -","- C22 H30 Cl2 N4 Ni O12 -","- C44 H60 Cl4 N8 Ni2 O24 -","2","0.5","HB7900","Politeo, Nives; Pisačić, Mateja; Đaković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","Synthesis and crystal structure of a 6-chloronicotinate salt of a one-dimensional cationic nickel(II) coordination polymer with 4,4′-bipyridine","Acta Crystallographica Section E Crystallographic Communications","2020","76","5","599","","10.1107/S2056989020004193","","","0.71073","MoKα","","0.0376","0.0285","","","0.0695","0.0738","","","","","","1.069","","","","has coordinates,has Fobs","250124","2020-10-21","18:00:00",""
"2022132","10.5601","0.0007","11.0044","0.0012","11.8145","0.001","80.212","0.008","69.124","0.007","78.565","0.007","1249.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]","","- C42 H39 Au3 Fe N12 O4 -","- C42 H39 Au3 Fe N12 O4 -","- C42 H39 Au3 Fe N12 O4 -","1","0.5","TX2022","Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of catena-poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]","Acta Crystallographica Section E Crystallographic Communications","2020","76","6","944","","10.1107/S2056989020006738","","","0.71073","MoKα","","0.0645","0.0501","","","0.1426","0.1555","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","252481","2020-10-21","18:00:00",""
"2022163","9.4078","0.0007","9.2511","0.0007","11.6953","0.0008","90","","105.722","0.008","90","","979.79","0.13","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5,8,11,14,17-Hexathia-[9.9](2,6,3,5)-pyrazinophane","","- C16 H24 N2 S6 -","- C16 H24 N2 S6 -","- C32 H48 N4 S12 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane","Acta Crystallographica Section E Crystallographic Communications","2020","76","7","977","","10.1107/S2056989020007057","","","0.71073","MoKα","","0.053","0.0424","","","0.1046","0.1084","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","252983","2020-10-21","18:00:00",""
"2022164","12.2613","0.0008","9.9564","0.0006","16.2828","0.0012","90","","90","","90","","1987.8","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,5,8,11,14,17-Hexathia-[9.9](2,5,3,6)-pyrazinophane","","- C16 H24 N2 S6 -","- C16 H24 N2 S6 -","- C64 H96 N8 S24 -","4","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane","Acta Crystallographica Section E Crystallographic Communications","2020","76","7","977","","10.1107/S2056989020007057","","","0.71073","MoKα","","0.0347","0.0245","","","0.0613","0.0635","","","","","","0.971","","","","has coordinates,has Fobs","252983","2020-10-21","18:00:00",""
"2022178","7.1138","0.0004","12.6827","0.0006","15.1613","0.0008","90","","100.571","0.002","90","","1344.67","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","VM2235","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine","Acta Crystallographica Section E Crystallographic Communications","2020","76","8","1173","","10.1107/S2056989020008567","","","0.71073","MoKα","","0.0609","0.0517","","","0.1125","0.1182","","","","","","1.065","","","","has coordinates,has Fobs","253758","2020-10-21","18:00:00",""
"2022294","8.7897","0.0002","14.8937","0.0003","11.1294","0.0002","90","","101.742","0.002","90","","1426.47","0.05","100","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-Bromourotropinium bromide","1-(5-Bromopentyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane bromide","","- C11 H22 Br2 N4 -","- C11 H22 Br2 N4 -","- C44 H88 Br8 N16 -","4","1","HB7951","Mulrooney, David Z. T.; Müller-Bunz, Helge; Keene, Tony D.","Crystal structure and halogen‒hydrogen bonding of a Delépine reaction intermediate","Acta Crystallographica Section E Crystallographic Communications","2021","77","1","1","4","10.1107/S2056989020015601","","","1.54184","CuKα","","0.031","0.0254","","","0.0593","0.0625","","","","","","1.038","","","","has coordinates,has Fobs","259555","2020-12-05","05:32:58",""
"2022339","29.4665","0.0014","22.1299","0.0011","28.9371","0.0014","90","","97.3964","0.0014","90","","18712.6","1.6","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","Poly[[tetra-μ~3~-chlorido-deca-μ~2~-chlorido-dichloridohexakis(μ~4~-<i>L</i>-cysteinato)hexadecacopper] polyhydrate]","","- C36 H74.68 Cl32 Cu32 N12 O25.97 S12 -","- C36 H74.68 Cl32 Cu32 N12 O25.97 S12 -","- C144 H298.72 Cl128 Cu128 N48 O103.88 S48 -","4","1","HB7953","Gizatullin, Amir; Becker, Jonathan; Islamov, Daut; Serov, Nikita; Schindler, Siegfried; Klimovitskii, Alexander; Shtyrlin, Valery","Synthesis and structure of a complex of copper(I) with L-cysteine and chloride ions containing Cu12S6 nanoclusters","Acta Crystallographica Section E Crystallographic Communications","2021","77","4","324","330","10.1107/S2056989021002012","","","0.71073","MoKα","","0.0584","0.0412","","","0.1062","0.1138","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","262380","2021-03-03","07:11:01",""
"2022377","10.32882","0.00007","8.50126","0.00005","9.30814","0.00006","90","","98.5748","0.0005","90","","808.193","0.009","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","magnesium zinc divanadium oxide","Magnesium zinc divanadate","","- Mg O7 V2 Zn -","- Mg O7 V2 Zn -","- Mg6 O42 V12 Zn6 -","6","0.75","WM5602","Hong, Stephanie J.; Li, Jun; Subramanian, Mas A.","Crystal structure refinement of magnesium zinc divanadate, MgZnV2O7, from powder X-ray diffraction data","Acta Crystallographica Section E Crystallographic Communications","2021","77","6","588","591","10.1107/S2056989021004503","powder diffraction","x-ray","1.5405","Cukα~1~","","","","","","","","","","1.81","","","","","","","has coordinates","265086","2021-05-11","04:49:48",""
"2022386","8.581","0.0002","9.2648","0.0003","11.4073","0.0004","90","","90","","90","","906.89","0.05","153","1","153","1","","","","","","","","5","P n a 21","P 2c -2n","33","","Potassium triiodidomercurate(II) monohydrate","","- H2 Hg I3 K O -","- H2 Hg I3 K O -","- H8 Hg4 I12 K4 O4 -","4","1","WM5609","Chocolatl Torres, Misael; Bernès, Sylvain; Salazar Kuri, Ulises","Refinement of K[HgI3]·H2O using non-spherical atomic form factors","Acta Crystallographica Section E Crystallographic Communications","2021","77","7","681","685","10.1107/S2056989021005582","","x-ray","0.56083","AgKα","","0.0363","0.0214","","","0.0353","0.0381","","","","","","0.8712","","","","has coordinates,has Fobs","265824","2021-06-05","05:26:11",""
"2022437","17.6783","0.0014","17.2647","0.0014","16.383","0.002","90","","121.867","0.003","90","","4246.6","0.7","100","2","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Hexa-μ~2~-azido-di-μ~3~-chlorido-hexa-μ~2~-hydroxido-di-μ~3~-oxido-hexakis(pentamethylcyclopentadienyl)hexathorium‒diethyl ether‒tetrahydrofuran (1/0.56/1.44)","","- C68 H113.12 Cl2 N18 O10 Th6 -","- C67.28 H111.12 Cl2 N18 O9.28 Th6 -","- C134.56 H222.24 Cl4 N36 O18.56 Th12 -","2","0.25","ZL5025","Kelley, Steven P.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.","Crystal structure of [Th3(Cp*)3(O)(OH)3]2Cl2(N3)6: a discrete molecular capsule built from multinuclear organothorium cluster cations","Acta Crystallographica Section E Crystallographic Communications","2021","77","10","","","10.1107/S2056989021008914","","","0.71073","MoKα","","0.0361","0.0266","","","0.0529","0.0563","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","269047","2021-09-08","02:07:08",""
"2022482","6.7605","0.0006","15.065","0.001","16.0849","0.0009","90","","90","","90","","1638.2","0.2","150","0.12","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1<i>H</i>-1,2,3-triazol-4-yl]methanone","","- C17 H7 F8 N3 O -","- C17 H7 F8 N3 O -","- C68 H28 F32 N12 O4 -","4","1","HB7985","Pokhodylo, Nazariy T.; Slyvka, Yurii; Goreshnik, Evgeny; Lytvyn, Roman","Synthesis, crystal structure and Hirshfeld surface analysis of (4-methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone","Acta Crystallographica Section E Crystallographic Communications","2021","77","11","","","10.1107/S2056989021010070","","","1.54184","CuKα","","0.0778","0.0469","","","0.092","0.1088","","","","","","1.032","","","","has coordinates,has Fobs","269597","2021-10-06","01:44:12",""
"2022483","10.4266","0.0004","6.0539","0.0002","14.2168","0.0007","90","","90.261","0.004","90","","897.38","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>R</i>)-2-(Benzylselanyl)-1-phenylethanaminium hydrogen sulfate monohydrate","","- C15 H21 N O5 S Se -","- C15 H21 N O5 S Se -","- C30 H42 N2 O10 S2 Se2 -","2","1","YY2003","Rajegowda, H. R.; Suchetan, P. A.; Butcher, R. J.; Raghavendra Kumar, P.","Synthesis and absolute structure of (R)-2-(benzylselanyl)-1-phenylethanaminium hydrogen sulfate monohydrate: crystal structure and Hirshfeld surface analyses","Acta Crystallographica Section E Crystallographic Communications","2021","77","11","","","10.1107/S2056989021010409","","","0.71073","MoKα","","0.0549","0.0441","","","0.1012","0.1128","","","","","","0.989","","","","has coordinates,has Fobs","270047","2021-10-20","02:24:38",""
"2022491","21.507","0.004","21.507","0.004","13.434","0.004","90","","90","","90","","6214","2","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","2,2''-({[(1<i>E</i>,1'<i>E</i>)-(Diselanediyl)bis(2,1-phenylene)]bis(methaneylylidene)}bis(azaneylylidene))bis[3',6'-bis(diethylamino)-4a',9a'-dihydrospiro[isoindoline-1,9'-xanthen]-3-one]","","- C70 H70 N8 O4 Se2 -","- C70 H70 N8 O4 Se2 -","- C280 H280 N32 O16 Se8 -","4","0.5","ZL5020","Malla, Manzoor Ahmad; Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K.","Crystal structure, Hirshfeld surface analysis and DFT study of 2,2''-({[(1<i>E</i>,1'<i>E</i>)-(diselanediyl)bis(2,1-phenylene)]bis(methaneylylidene)}bis(azaneylylidene))bis[3',6'-bis(diethylamino)-4a',9a'-dihydrospiro[isoindoline-1,9'-xanthen]-3-one]","Acta Crystallographica Section E","2022","78","1","1","7","10.1107/S2056989021013189","","","0.71073","MoKα","","0.0924","0.0699","","","0.134","0.1416","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","272813","2022-02-06","04:32:03",""
"2022514","23.5976","0.0006","11.8723","0.0003","22.2989","0.0006","90","","90","","90","","6247.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>cyclo</i>-Tetrakis(μ-2-methoxy-6-{[2-(pyridin-2-yl)hydrazin-1-ylidene]methyl}phenolato)tetranickel(II) tetrakis(perchlorate) acetonitrile monosolvate dihydrate","","- C54 H55 Cl4 N13 Ni4 O26 -","- C54 H55 Cl4 N13 Ni4 O26 -","- C216 H220 Cl16 N52 Ni16 O104 -","4","1","YY2002","Patel, R. N.; Patel, S. K.; Patel, A. K.; Patel, N.; Butcher, Ray J.","A tetranuclear nickel(II) complex, [Ni4(L)4](ClO4)4·C2H3N·2H2O, with an asymmetric Ni4O4 open-cubane-like core","Acta Crystallographica Section E Crystallographic Communications","2022","78","2","","","10.1107/S2056989021012408","","","0.71073","MoKα","","0.0705","0.0476","","","0.1121","0.125","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","272054","2022-01-15","02:38:02",""
"2022532","18.4889","0.0014","10.9722","0.0008","19.1517","0.0014","90","","94.035","0.002","90","","3875.6","0.5","105","2","105.32","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(6,6'-{[(Cyclohexane-1,2-diyl)bis(azanediyl)]bis(methylene)}bis(2,4-di-<i>tert</i>-butylphenolato))dioxidomolybdenum(VI) methanol disolvate","","- C38 H64 Mo N2 O6 -","- C38 H64 Mo N2 O6 -","- C152 H256 Mo4 N8 O24 -","4","1","TX2046","Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex","Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones","Acta Crystallographica Section E Crystallographic Communications","2022","78","3","","","10.1107/S2056989022000524","","","0.71073","MoKα","","0.0311","0.0278","","","0.0683","0.0702","","","","","","1.066","","","","has coordinates,has Fobs","272410","2022-02-02","02:59:41",""
"2022533","9.601","","12.86","","21.428","","91.44","","91.49","","93.22","","2639.68","","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","Dioxido{2,2'-[l,2-phenylenebis(iminomethylene)]bis(phenolato)}molybdenum(VI) dimethylformamide disolvate","","- C26 H32 Mo N4 O6 -","- C26 H32 Mo N4 O6 -","- C104 H128 Mo4 N16 O24 -","4","2","","Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex","Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones","Acta Crystallographica Section E Crystallographic Communications","2022","78","3","","","10.1107/S2056989022000524","","","0.71073","MoKα","","0.0533","0.0354","","","0.0618","0.0649","","","","","","1.058","","","","has coordinates","272410","2022-02-02","02:59:42",""
"2022579","4.6003","0.0005","6.2969","0.0005","30.726","0.004","90","","90.886","0.009","90","","889.95","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-{[(1<i>E</i>,2<i>E</i>)-Ethane-1,2-diylidene]bis(azanylylidene)}bis(4-methylbenzoate)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","0.5","ZN2013","Yeşilbağ, Semanur; Çınar, Emine Berrin; Dege, Necmi; Ağar, Erbil; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of dimethyl 3,3′-{[(1E,2E)-ethane-1,2-diylidene]bis(azanylylidene)}bis(4-methylbenzoate)","Acta Crystallographica Section E Crystallographic Communications","2022","78","4","","","10.1107/S2056989022002092","","","0.71073","MoKα","","0.0567","0.0411","","","0.1166","0.1256","","","","","","1.061","","","","has coordinates,has Fobs","273205","2022-03-02","03:04:36",""
"2022598","9.3699","0.0002","15.3897","0.0004","16.0267","0.0004","92.6869","0.0009","105.154","0.0008","100.015","0.0007","2186.3","0.09","296","","296","","","","","","","","","8","P -1","-P 1","2","","<i>cis</i>-Aqua[2,6-bis(1,8-naphthyridin-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)ruthenium(II) hexafluoridophosphate–acetone–water (1/0.5/1)","","- C41.5 H35 F6 N6 O2.5 P2 Ru S -","- C41.5 H31 F6 N6 O2.5 P2 Ru S -","- C83 H62 F12 N12 O5 P4 Ru2 S2 -","2","1","WM5641","Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai","Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands","Acta Crystallographica Section E Crystallographic Communications","2022","78","6","","","10.1107/S2056989022004443","","","0.71075","MoKα","","0.0596","0.05","","","0.1589","0.1689","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","275187","2022-05-07","01:47:00",""
"2022599","12.6556","0.001","14.0986","0.0007","17.4421","0.0014","90","","108.535","0.003","90","","2950.7","0.4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-[2,6-Bis(1,8-naphthyridin-2-yl)pyridine-κ^3^'<i>N</i>,<i>N</i>',<i>N</i>'']bis(pyridine-κ<i>N</i>)(thiocyanato-κ<i>N</i>)ruthenium(II) thiocyanate","","- C33 H23 N9 Ru S2 -","- C33 H23 N9 Ru S2 -","- C132 H92 N36 Ru4 S8 -","4","1","WM5641","Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai","Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands","Acta Crystallographica Section E Crystallographic Communications","2022","78","6","","","10.1107/S2056989022004443","","","0.71075","MoKα","","0.0414","0.036","","","0.0871","0.0907","","","","","","1.103","","","","has coordinates,has Fobs","275187","2022-05-07","01:47:03",""
"2022629","15.58979","0.00016","10.33883","0.0001","9.91195","0.00009","90","","90","","90","","1597.61","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(4-Bromophenyl)-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonitrile","","- C19 H13 Br N2 O -","- C19 H13 Br N2 O -","- C76 H52 Br4 N8 O4 -","4","1","VM2267","Naghiyev, Farid N.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 2-(4-bromophenyl)-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E Crystallographic Communications","2022","78","8","","","10.1107/S2056989022006466","","","1.54178","CuKα","","0.0371","0.037","","","0.099","0.0991","","","","","","1.049","","","","has coordinates,has Fobs","276585","2022-07-06","01:50:45",""
"2022660","11.205","0.019","6.687","0.011","8.373","0.015","90","","90","","90","","627.4","1.9","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Compound 1 (s20_07)","1,3,5-Trimethyl-1<i>H</i>-pyrazole","","- C6 H10 N2 -","- C6 H10 N2 -","- C24 H40 N8 -","4","0.5","DJ2050","van Terwingen, Steven; Englert, Ulli","Trimethylpyrazole: a simple heterocycle reflecting Kitaigorodskii's packing principle","Acta Crystallographica Section E Crystallographic Communications","2022","78","10","","","10.1107/S205698902200860X","","","0.71073","MoKα","","0.0907","0.0467","","","0.1095","0.1192","","","","","","0.873","","","","has coordinates,has Fobs","277611","2022-09-03","02:01:49",""
"2022678","9.935","0.0003","17.5133","0.0007","21.4662","0.0008","90","","90","","90","","3735","0.2","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","<i>N</i>-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1<i>H</i>-pyrazol-5-yl}-2,2,2-trifluoroacetamide","","- C15 H8 Cl2 F6 N4 O S -","- C15 H8 Cl2 F6 N4 O S -","- C120 H64 Cl16 F48 N32 O8 S8 -","8","1","TX2059","Priyanka, Prabhakar; Jayanna, Bidarur K.; Sunil Kumar, Yelekere C.; Shreenivas, Mellekatte T.; Srinivasa, Gejjelegere R.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis, spectroscopic and crystal structure studies of N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1H-pyrazol-5-yl}-2,2,2-trifluoroacetamide","Acta Crystallographica Section E Crystallographic Communications","2022","78","11","","","10.1107/S2056989022009653","","","0.71073","MoKα","","0.0292","0.0257","","","0.0626","0.0644","","","","","","1.043","","","","has coordinates,has Fobs","278354","2022-10-05","01:57:24",""
"2022691","14.7026","0.0004","8.5449","0.0002","16.9929","0.0004","90","","92.8","0.002","90","","2132.31","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dicarboxyanilinium nitrate monohydrate","","- C8 H10 N2 O8 -","- C8 H10 N2 O8 -","- C64 H80 N16 O64 -","8","2","ZV2018","Boutebdja, Mehdi; Benarous, Nesrine; Boulkedid, Ahlem Linda; Lehleh, Asma; Beghidja, Adel","A new (monohydrate) form of 3,5-dicarboxyanilinium nitrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E Crystallographic Communications","2022","78","12","","","10.1107/S2056989022010167","","","0.71073","MoKα","","0.0667","0.0477","","","0.1279","0.1423","","","","","","1.018","","","","has coordinates,has Fobs","278897","2022-11-01","12:23:35",""
"2022692","13.0128","0.0002","27.1423","0.0004","13.9114","0.0003","90","","109.485","0.002","90","","4632.07","0.15","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>closo</i>-9-[4-(Dibenzylamino)phenyl]-1,2-dicarbadodecaborane(12)","","- C22 H29 B10 N -","- C22 H29 B10 N -","- C176 H232 B80 N8 -","8","2","JQ2023","Milewski, Max; Caminade, Anne-Marie; Hey-Hawkins, Evamarie; Lönnecke, Peter","Pitfalls of a structure determination: The structure of closo-9-[4-(dibenzylamino)phenyl]-1,2-dicarbadodecaborane(12)","Acta Crystallographica Section E Crystallographic Communications","2022","78","12","","","10.1107/S205698902201043X","","","0.71073","MoKα","","0.0968","0.0562","","","0.1358","0.1597","","","","","","1.018","","","","has coordinates,has Fobs","279133","2022-11-09","03:04:26",""
"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",""
"2023078","11.467","0.0002","8.4852","0.0002","20.4823","0.0004","90","","105.135","0.002","90","","1923.8","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4'-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2,4-dicarboxylate","","- C20 H17 Br O5 S -","- C20 H17 Br O5 S -","- C80 H68 Br4 O20 S4 -","4","1","NX2007","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Asadov, Khammed A.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002858","","x-ray","0.71073","MoKα","","0.0441","0.0335","","","0.0827","0.0863","","","","","","1.023","","","","has coordinates,has disorder","291079","2024-04-05","01:56:14",""
"2023079","10.7082","0.0008","7.027","0.0006","13.882","0.001","90","","91.679","0.01","90","","1044.12","0.14","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Cyano-2-isonitrosoacetamide–3,4-dimethylpyrazole (1/1)","2-Cyano-2-isonitrosoacetamide–3,4-dimethylpyrazole (1/1)","","- C8 H11 N5 O2 -","- C8 H11 N5 O2 -","- C32 H44 N20 O8 -","4","1","HB8093","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Ponomarova, Vira V.; Lysenko, Andrey B.; Krautscheid, Harald","2-Cyano-2-isonitrosoacetamide–3,4-dimethylpyrazole (1/1): a co-crystal of two molecules with agrochemical activities","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002809","","x-ray","1.54186","CuKα","","0.0726","0.0474","","","0.1149","0.1278","","","","","","0.993","","","","has coordinates","291080","2024-04-05","01:56:29",""
"2023080","7.4584","0.0002","7.7429","0.0003","13.2461","0.0003","103.025","0.002","98.735","0.002","90.769","0.002","735.73","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","cis-Jasmone 4-ethylthiosemicarbazone","<i>N</i>-Ethyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C14 H23 N3 S -","- C14 H23 N3 S -","- C28 H46 N6 S2 -","2","1","YZ2054","Oliveira, Adriano Bof de; Beck, Johannes; Daniels, Jörg","Synthesis, crystal structure and Hirshfeld analysis of N-ethyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002913","","x-ray","0.71073","MoKα","","0.0447","0.0341","","","0.0787","0.0845","","","","","","1.019","","","","has coordinates,has disorder","291156","2024-04-10","02:02:25",""
"2023081","7.1686","0.0005","4.8491","0.0003","19.1276","0.0014","90","","90","","90","","664.9","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Hydroxypentanehydrazide","","- C5 H12 N2 O2 -","- C5 H12 N2 O2 -","- C20 H48 N8 O8 -","4","1","VM2296","Justen, Guilherme Augusto; Carneiro Neto, José Severiano; Sousa Santana, Francielli; Leiriane Batistel Ribas, Maria; Gomes da Silva de Paula, Felipe; Dario, Priscila Paola; Gonçalves Montes D'Oca, Marcelo","Crystal structure and Hirshfeld surface analysis of 5-hydroxypentanehydrazide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002871","","","0.71073","MoKα","","0.023","0.022","","","0.0583","0.0587","","","","","","1.083","","","","has coordinates","291157","2024-04-10","02:02:42",""
"2023082","8.2816","0.0002","17.4856","0.0003","14.9186","0.0003","90","","104.478","0.002","90","","2091.74","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>H</i>-Imidazole-κ<i>N</i>^3^)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C22 H23 Cu N5 O3 -","- C22 H23 Cu N5 O3 -","- C88 H92 Cu4 N20 O12 -","4","2","EE2005","Kaneda, Ai; Suzuki, Soma; Nakane, Daisuke; Kashiwagi, Yukiyasu; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ3 O,N,O′]copper(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002986","","x-ray","1.54184","CuKα","","0.0397","0.036","","","0.0932","0.0957","","","","","","1.052","","","","has coordinates","291225","2024-04-16","02:11:51",""
"2023083","11.902","0.0002","26.4007","0.0002","7.1933","0.0001","90","","104.299","0.001","90","","2190.26","0.05","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C20 H21 Co N5 O3 S2 -","- C20 H21 Co N5 O3 S2 -","- C80 H84 Co4 N20 O12 S8 -","4","1","JP2003","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of the trigonal–bipyramidal complex tris(2-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003050","","x-ray","1.54184","CuKα","","0.0334","0.0331","","","0.0887","0.089","","","","","","1.037","","","","has coordinates","291226","2024-04-16","02:12:09",""
"2023084","10.6861","0.0004","13.0639","0.0005","15.7006","0.0006","96.304","0.002","107.142","0.002","110.766","0.002","1901.24","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","(1<i>H</i>-Imidazole){tris[(1-benzyltriazol-4-yl-κ<i>N</i>^3^)methyl]amine-κ<i>N</i>}cobalt(II) bis(tetrafluoroborate)","","- C33 H34 B2 Co F8 N12 -","- C33 H34 B2 Co F8 N12 -","- C66 H68 B4 Co2 F16 N24 -","2","1","JY2045","Batra, Vipul; Reed, Garrett C.; Tierney, David L.","Structure of the five-coordinate CoII complex (1H-imidazole){tris[(1-benzyltriazol-4-yl-κN 3)methyl]amine-κN}cobalt(II) bis(tetrafluoroborate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S205698902400330X","","","0.71073","MoKα","","0.0707","0.0491","","","0.1084","0.1178","","","","","","1.037","","","","has coordinates,has disorder","291288","2024-04-19","04:39:07",""
"2023085","12.5716","0.0006","8.394","0.0003","20.3319","0.0007","90","","90","","90","","2145.54","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trichlorido(4-methylpiperidine)gold(III)","","- C6 H13 Au Cl3 N -","- C6 H13 Au Cl3 N -","- C48 H104 Au8 Cl24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.0426","0.0242","","","0.0383","0.0419","","","","","","1.046","","","","has coordinates","291289","2024-04-19","04:39:37",""
"2023086","9.9871","0.0005","7.1505","0.0004","15.716","0.0008","90","","90","","90","","1122.32","0.1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tribromido(4-methylpiperidine)gold(III)","","- C6 H13 Au Br3 N -","- C6 H13 Au Br3 N -","- C24 H52 Au4 Br12 N4 -","4","0.5","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.0422","0.0295","","","0.0472","0.0504","","","","","","1.11","","","","has coordinates","291289","2024-04-19","04:39:38",""
"2023087","12.6471","0.0005","8.7247","0.0003","21.0262","0.0007","90","","90","","90","","2320.08","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tribromido(4-methylpiperidine)gold(III)","","- C6 H13 Au Br3 N -","- C6 H13 Au Br3 N -","- C48 H104 Au8 Br24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.052","0.0294","","","0.0388","0.0429","","","","","","1.035","","","","has coordinates","291289","2024-04-19","04:39:38",""
"2023088","10.2188","0.0005","10.7365","0.0005","20.4119","0.001","84.376","0.002","89.298","0.002","70.167","0.002","2095.97","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-[(1<i>Z</i>,3<i>E</i>)-1-cyano-2,4-diphenylpenta-1,3-dien-1-yl]pyridine-3,5-dicarbonitrile monohydrate","","- C25 H20 N6 O -","- C25 H20 N6 O -","- C100 H80 N24 O4 -","4","2","OX2003","Mamedov, İbrahim G.; Khrustalev, Victor N.; Akkurt, Mehmet; Kerimli, Fuad Sh.; Bhattarai, Ajaya; Khalilov, Ali N.; Naghiyev, Farid N.","Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-[(1Z,3E)-1-cyano-2,4-diphenylpenta-1,3-dien-1-yl]pyridine-3,5-dicarbonitrile monohydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002962","","","0.71073","MoKα","","0.0717","0.0492","","","0.1264","0.1433","","","","","","1.016","","","","has coordinates","291290","2024-04-19","04:39:59",""
"2023089","11.46665","0.00013","12.37103","0.00015","13.58185","0.00017","90","","97.0894","0.0011","90","","1911.91","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-methylpyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[(methanol-κ<i>O</i>)(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)]","","- C30 H36 Co2 N8 O6 S4 -","- C30 H36 Co2 N8 O6 S4 -","- C60 H72 Co4 N16 O12 S8 -","2","0.5","JP2005","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal properties of the dinuclear complex bis(μ-4-methylpyridine N-oxide-κ2 O:O)bis[(methanol-κO)(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003128","","x-ray","1.54184","CuKα","","0.0385","0.0376","","","0.1024","0.103","","","","","","1.087","","","","has coordinates","291291","2024-04-19","04:40:15",""
"2023090","16.1699","0.0007","21.1139","0.001","30.0046","0.0014","90","","91.576","0.002","90","","10240","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[tris(diisobutyldithiocarbamato)-μ~3~-sulfido-tri-μ~2~-disulfido-trimolybdenum(IV)] sulfide tetrahydrofuran monosolvate","","- C54 H108 Mo6 N6 S27 -","- C54 H108 Mo6 N6 S27 -","- C216 H432 Mo24 N24 S108 -","4","1","OI2005","Fraker, Addison; Donahue, James P.; McSkimming, Alex","Bis[tris(diisobutyldithiocarbamato)-μ3-sulfido-tri-μ2-disulfido-trimolybdenum(IV)] sulfide tetrahydrofuran monosolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002949","","","1.54178","CuKα","","0.0434","0.0379","","","0.084","0.0889","","","","","","1.146","","","","has coordinates,has disorder","291292","2024-04-19","04:40:53",""
"2023091","5.77","0.0001","8.3069","0.0002","14.6243","0.0005","82.891","0.002","87.004","0.004","74.172","0.002","669.07","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(1<i>E</i>)-1-[(Carbamothioylamino)imino]ethyl]phenyl propanoate","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C24 H30 N6 O4 S2 -","2","1","WM5713","Madhan, Sundarasamy; NizamMohideen, Mohamed; Viswanathan, Vijayan; Karthik Ananth, Mani; Narasimhan, Srinivasan","Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1E)-1-[(carbamothioylamino)imino]ethyl}phenyl propanoate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003177","","","0.71073","MoKα","","0.0859","0.0654","","","0.1994","0.2189","","","","","","1.089","","","","has coordinates,has disorder","291293","2024-04-19","04:41:11",""
"2023092","10.178","0.002","5.9156","0.0011","7.7158","0.0014","90","","112.658","0.014","90","","428.71","0.15","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ammonium trinickel(II) hydrogen arsenate arsenate dihydroxide","","- As2 H7 N Ni3 O10 -","- As2 H3 N Ni3 O10 -","- As4 H6 N2 Ni6 O20 -","2","0.25","HB8094","Eder, Felix; Weil, Matthias","Synthesis and crystal structure of (NH4)[Ni3(HAsO4)(AsO4)(OH)2]","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003487","","","0.71073","MoKα","","0.095","0.0675","","","0.1984","0.2288","","","","","","1.04","","","","has coordinates","291378","2024-04-27","01:54:33",""
"2023093","9.427","0.0005","9.4386","0.0004","12.3849","0.0007","95.392","0.003","96.849","0.003","106.512","0.003","1039.49","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4-({[2-(Benzo[<i>b</i>]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C48 H42 N2 O6 S2 -","2","1","NX2009","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (Z)-4-({[2-(benzo[b]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003232","","","0.71073","MoKα","","0.1126","0.0488","","","0.0932","0.1147","","","","","","0.991","","","","has coordinates","291379","2024-04-27","01:54:49",""
"2023094","9.226","0.0006","12.7703","0.0009","18.6607","0.0013","109.79","0.006","96.72","0.006","90.657","0.006","2051.4","0.3","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-(4-Bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-enamide","","- C23 H21 Br N4 O -","- C23 H21 Br N4 O -","- C92 H84 Br4 N16 O4 -","4","2","JP2004","Abu-Zaied, Mamdouh A.; Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of (E)-N-(4-bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003086","","x-ray","1.54184","CuKα","","0.0403","0.0395","","","0.1015","0.1022","","","","","","1.05","","","","has coordinates","291380","2024-04-27","01:55:06",""
"2023095","13.3577","0.0005","10.0877","0.0003","13.9182","0.0005","90","","106.29","0.004","90","","1800.16","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Chlorosulfanyl)tris(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C9 H21 Au Cl5 P S -","- C9 H21 Au Cl5 P S -","- C36 H84 Au4 Cl20 P4 S4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0512","0.0403","","","0.0963","0.1023","","","","","","1.079","","","","has coordinates","291382","2024-04-27","01:57:00",""
"2023096","7.5619","0.0004","8.7408","0.0004","15.4558","0.0006","84.346","0.004","78.306","0.004","66.915","0.005","920.07","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(<i>tert</i>-Butyl)(chlorosulfanyl)bis(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C10 H23 Au Cl5 P S -","- C10 H23 Au Cl5 P S -","- C20 H46 Au2 Cl10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0212","0.0166","","","0.0342","0.036","","","","","","1.049","","","","has coordinates","291382","2024-04-27","01:57:04",""
"2023097","33.653","0.003","7.7933","0.0003","16.212","0.002","90","","113.861","0.008","90","","3888.5","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(<i>tert</i>-butyl)(chlorosulfanyl)(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C11 H25 Au Cl5 P S -","- C11 H25 Au Cl5 P S -","- C88 H200 Au8 Cl40 P8 S8 -","8","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0523","0.0331","","","0.0582","0.0636","","","","","","1.041","","","","has coordinates","291382","2024-04-27","01:57:05",""
"2023098","9.7661","0.0003","12.5787","0.0003","16.9776","0.0005","90","","103.887","0.003","90","","2024.65","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(<i>tert</i>-butyl)(chlorosulfanyl)phosphonium tetrachloridoaurate(III)","","- C12 H27 Au Cl5 P S -","- C12 H27 Au Cl5 P S -","- C48 H108 Au4 Cl20 P4 S4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0731","0.0223","","","0.0421","0.0449","","","","","","0.767","","","","has coordinates","291382","2024-04-27","01:57:06",""
"2023099","7.4202","0.0003","8.5966","0.0003","15.398","0.0006","97.497","0.003","100.128","0.004","109.324","0.004","893.42","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Chloroselanyl)tris(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C9 H21 Au Cl5 P Se -","- C9 H21 Au Cl5 P Se -","- C18 H42 Au2 Cl10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0194","0.0157","","","0.0317","0.0327","","","","","","1.101","","","","has coordinates","291382","2024-04-27","01:57:07",""
"2023100","7.5836","0.0002","8.7603","0.0002","15.4719","0.0006","84.445","0.003","78.641","0.003","67.128","0.003","928.27","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(<i>tert</i>-Butyl)(chloroselanyl)bis(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C10 H23 Au Cl5 P Se -","- C10 H23 Au Cl5 P Se -","- C20 H46 Au2 Cl10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0252","0.0208","","","0.052","0.0544","","","","","","1.052","","","","has coordinates","291382","2024-04-27","01:57:07",""
"2023101","33.7472","0.0006","7.79306","0.00008","16.2575","0.0003","90","","113.582","0.003","90","","3918.56","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(<i>tert</i>-butyl)(chloroselanyl)(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C11 H25 Au Cl5 P Se -","- C11 H25 Au Cl5 P Se -","- C88 H200 Au8 Cl40 P8 Se8 -","8","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0276","0.0209","","","0.0408","0.0428","","","","","","1.107","","","","has coordinates","291382","2024-04-27","01:57:07",""
"2023102","7.8543","0.0004","8.0592","0.0004","15.3505","0.0007","76.717","0.004","83.169","0.004","87.722","0.004","938.89","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromosulfanyl)tris(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C9 H21 Au Br5 P S -","- C9 H21 Au Br5 P S -","- C18 H42 Au2 Br10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0267","0.0208","","","0.0386","0.04","","","","","","1.081","","","","has coordinates","291382","2024-04-27","01:57:08",""
"2023103","7.8455","0.0006","9.138","0.0006","15.544","0.0009","86.6","0.005","81.097","0.006","64.862","0.006","996.66","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromosulfanyl)(<i>tert</i>-butyl)bis(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C10 H23 Au Br5 P S -","- C10 H23 Au Br5 P S -","- C20 H46 Au2 Br10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0339","0.0269","","","0.049","0.052","","","","","","1.061","","","","has coordinates","291382","2024-04-27","01:57:08",""
"2023104","12.4712","0.0004","10.3712","0.0003","16.2524","0.0005","90","","92.724","0.003","90","","2099.73","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bromosulfanyl)bis(<i>tert</i>-butyl)(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C11 H25 Au Br5 P S -","- C11 H25 Au Br5 P S -","- C44 H100 Au4 Br20 P4 S4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0498","0.0328","","","0.0568","0.061","","","","","","1.09","","","","has coordinates","291382","2024-04-27","01:57:08",""
"2023105","10.2218","0.0005","10.8085","0.0006","11.1163","0.0005","70.909","0.004","71.516","0.005","75.645","0.004","1086.39","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromosulfanyl)tris(<i>tert</i>-butyl)phosphonium tetrabromidoaurate(III)","","- C12 H27 Au Br5 P S -","- C12 H27 Au Br5 P S -","- C24 H54 Au2 Br10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0486","0.0316","","","0.0604","0.0659","","","","","","1.054","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023106","7.9212","0.0004","8.0606","0.0004","15.2911","0.0008","76.817","0.005","82.668","0.005","87.728","0.004","942.77","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromoselanyl)tris(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C9 H21 Au Br5 P Se -","- C9 H21 Au Br5 P Se -","- C18 H42 Au2 Br10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0347","0.0244","","","0.0423","0.0447","","","","","","1.057","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023107","7.8155","0.0003","9.1505","0.0003","15.5221","0.0005","85.965","0.002","80.294","0.003","66.049","0.003","999.97","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromoselanyl)(<i>tert</i>-butyl)bis(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C10 H23 Au Br5 P Se -","- C10 H23 Au Br5 P Se -","- C20 H46 Au2 Br10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0312","0.0245","","","0.0593","0.0629","","","","","","1.036","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023108","12.3529","0.0004","10.4233","0.0004","16.4635","0.0005","90","","93.453","0.003","90","","2115.96","0.12","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bromoselanyl)bis(<i>tert</i>-butyl)(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C11 H25 Au Br5 P Se -","- C11 H25 Au Br5 P Se -","- C44 H100 Au4 Br20 P4 Se4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0793","0.0337","","","0.057","0.0613","","","","","","0.812","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023109","7.0415","0.0003","17.9349","0.0008","9.0148","0.0005","90","","100.812","0.002","90","","1118.26","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxido-bis[dibromido(dimethylformamide-κ<i>O</i>)ethyltin(IV)]","","- C10 H26 Br4 N2 O4 Sn2 -","- C10 H26 Br4 N2 O4 Sn2 -","- C20 H52 Br8 N4 O8 Sn4 -","2","0.5","YY2010","Klecker, Christopher Jan; Reuter, Hans","Dimeric ethyltin(IV)–dibromide–hydroxide–N,N-dimethylformamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003268","","","0.71073","MoKα","","0.022","0.0181","","","0.0448","0.0461","","","","","","1.067","","","","has coordinates","291383","2024-04-27","01:57:51",""
"2023110","17.764","0.003","8.4429","0.0012","11.6601","0.0016","90","","100.948","0.004","90","","1717","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(4-Hydroxyphenyl)amino]-5,5-diphenyl-1<i>H</i>-imidazol-4(5<i>H</i>)-one","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","VM2300","El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Mague, Joel T.; Alsubari, Abdulsalam; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(4-hydroxyphenyl)amino]-5,5-diphenyl-1H-imidazol-4(5H)-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003499","","","0.71073","MoKα","","0.1042","0.0546","","","0.1125","0.1319","","","","","","1.035","","","","has coordinates","291384","2024-04-27","01:58:04",""
"2023111","8.5194","0.0007","18.1257","0.0013","9.0875","0.0008","90","","105.106","0.003","90","","1354.8","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>,2,4,6-Tetramethylanilinium trifluoromethanesulfonate","","- C11 H16 F3 N O3 S -","- C11 H16 F3 N O3 S -","- C44 H64 F12 N4 O12 S4 -","4","1","EJ2004","Stewart, John W.; Irons, Elena M.; Osorio Abanto, Giovanna; Zeller, Matthias; Zaleski, Curtis M.; Predecki, Daniel P.","Synthesis and crystal structures of N,2,4,6-tetramethylanilinium trifluoromethanesulfonate and N-isopropylidene-N,2,4,6-tetramethylanilinium trifluoromethanesulfonate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003438","","","0.71073","MoKα","","0.0813","0.0473","","","0.1179","0.1326","","","","","","1.033","","","","has coordinates","291385","2024-04-27","01:58:23",""
"2023112","6.858","0.0004","19.4619","0.0012","12.6131","0.0007","90","","102.024","0.002","90","","1646.53","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Isopropylidene-<i>N</i>,2,4,6-tetramethylanilinium trifluoromethanesulfonate","","- C14 H20 F3 N O3 S -","- C14 H20 F3 N O3 S -","- C56 H80 F12 N4 O12 S4 -","4","1","EJ2004","Stewart, John W.; Irons, Elena M.; Osorio Abanto, Giovanna; Zeller, Matthias; Zaleski, Curtis M.; Predecki, Daniel P.","Synthesis and crystal structures of N,2,4,6-tetramethylanilinium trifluoromethanesulfonate and N-isopropylidene-N,2,4,6-tetramethylanilinium trifluoromethanesulfonate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003438","","","0.71073","MoKα","","0.0649","0.0454","","","0.125","0.1356","","","","","","1.044","","","","has coordinates","291385","2024-04-27","01:58:24",""
"2023113","7.9462","0.0005","26.5977","0.0012","5.186","0.0002","90","","100.613","0.005","90","","1077.31","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(η^2^-ethylene)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C11 H10 Cl N O Pt -","- C11 H10 Cl N O Pt -","- C44 H40 Cl4 N4 O4 Pt4 -","4","1","OI2006","Chi, Nguyen Thi Thanh; Tuan Cuong, Ngo; Thu Trang, Tran; Van Thong, Pham; Linh, Nguyen Thi Bang; Ly, Nguyen Thi Khanh; Van Meervelt, Luc","Synthesis, crystal structure and anticancer activity of the complex chlorido(η2-ethylene)(quinolin-8-olato-κ2 N,O)platinum(II) by experimental and theoretical methods","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","550","554","10.1107/S2056989024003748","","x-ray","0.71073","MoKα","","0.0433","0.0329","","","0.0695","0.0762","","","","","","1.086","","","","has coordinates","291431","2024-05-01","01:46:59",""
"2023114","10.1542","0.0003","11.9156","0.0003","11.9964","0.0004","75.221","0.001","88.341","0.001","81.751","0.001","1388.9","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","5,17-Dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene","","- C34 H26 Br2 O4 -","- C34 H26 Br2 O4 -","- C68 H52 Br4 O8 -","2","1","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0535","0.0357","","","0.0814","0.0871","","","","","","1.042","","","","has coordinates,has disorder","291490","2024-05-04","01:52:20",""
"2023115","18.1223","0.0007","9.984","0.0004","18.2863","0.0007","90","","90","","90","","3308.6","0.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","5,17-Dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene","","- C40 H38 Br2 O4 -","- C40 H38 Br2 O4 -","- C160 H152 Br8 O16 -","4","0.5","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0446","0.0298","","","0.0642","0.069","","","","","","1.036","","","","has coordinates","291490","2024-05-04","01:52:21",""
"2023116","36.3261","0.0007","36.3261","0.0007","12.1054","0.0004","90","","90","","120","","13834","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","25,27-Bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","","- C32 H28 Br2 N6 O4 -","- C32 H28 Br2 N6 O4 -","- C576 H504 Br36 N108 O72 -","18","1","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0584","0.0397","","","0.0901","0.0974","","","","","","1.031","","","","has coordinates","291490","2024-05-04","01:52:22",""
"2023117","8.1208","0.0013","8.2262","0.0014","9.5944","0.0015","73.338","0.004","72.167","0.004","62.966","0.004","535.19","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-5-nitronaphthalen-2-yl)ethanone","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C24 H20 N4 O6 -","2","1","ZN2036","Shi, Xin-Wei; Bai, Ming-sheng; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu","Crystal structure characterization, Hirshfeld surface analysis, and DFT calculation studies of 1-(6-amino-5-nitronaphthalen-2-yl)ethanone","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003797","","","0.71073","MoKα","","0.0638","0.0505","","","0.1337","0.148","","","","","","1.033","","","","has coordinates","291491","2024-05-04","01:52:39",""
"2023118","8.6173","0.0004","10.6265","0.0006","13.1312","0.0004","93.384","0.004","98.121","0.003","94.09","0.004","1184.45","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{2-[5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate","","- C40 H34 F12 N8 O14 Pd -","- C40 H34 F12 N8 O14 Pd -","- C40 H34 F12 N8 O14 Pd -","1","0.5","JW2005","Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Bargan, Alexandra; Vassilyeva, Olga Yu.; Lampeka, Rostyslav D.","Crystal structure of bis{2-[5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400392X","","","0.71073","MoKα","","0.0466","0.0415","","","0.091","0.0953","","","","","","1.04","","","","has coordinates,has disorder","291492","2024-05-04","01:52:51",""
"2023119","12.7521","0.0006","8.9648","0.0004","16.6801","0.001","90","","111.057","0.001","90","","1779.54","0.16","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-chloro-<i>N</i>,<i>N</i>-dimethylethan-1-aminium) tetrachloridocobaltate(II)","","- C8 H22 Cl6 Co N2 -","- C8 H22 Cl6 Co N2 -","- C32 H88 Cl24 Co4 N8 -","4","0.5","EV2006","McGinness, Katelyn; Minton, Kim; White, Katelyn; Bond, Marcus R.","Bis(2-chloro-N,N-dimethylethan-1-aminium) tetrachloridocobaltate(II) and tetrachloridozincate(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003955","","","0.71073","MoKα","","0.0428","0.0302","","","","0.064","","","","","","1.088","","","","has coordinates,has disorder","291815","2024-05-11","01:50:41",""
"2023120","12.7297","0.0007","8.9784","0.0005","16.6837","0.0011","90","","111.062","0.002","90","","1779.43","0.18","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-chloro-<i>N</i>,<i>N</i>-dimethylethan-1-aminium) tetrachloridozincate(II)","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","0.5","EV2006","McGinness, Katelyn; Minton, Kim; White, Katelyn; Bond, Marcus R.","Bis(2-chloro-N,N-dimethylethan-1-aminium) tetrachloridocobaltate(II) and tetrachloridozincate(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003955","","","0.71073","MoKα","","0.0421","0.0327","","","","0.0701","","","","","","1.116","","","","has coordinates,has disorder","291815","2024-05-11","01:50:42",""
"2023121","9.8042","0.0008","9.4258","0.0008","15.4065","0.0013","90","","108.455","0.003","90","","1350.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-4-Oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","JY2046","Podrezova, Alexandra G.; Nikitina, Eugeniya V.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Hasanov, Khudayar I.; Sadikhov, Nurlana D.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (Z)-4-oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003967","","","0.71073","MoKα","","0.0536","0.0378","","","0.089","0.0974","","","","","","1.026","","","","has coordinates,has disorder","291816","2024-05-11","01:50:57",""
"2023122","11.023","0.0001","11.023","0.0001","34.4826","0.0004","90","","90","","120","","3628.53","0.06","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis[hexakis(nitrato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] tris[hexaaquanickel(II)] hexahydrate","","- H48 La2 N12 Ni3 O60 -","- H48 La2 N12 Ni3 O60 -","- H144 La6 N36 Ni9 O180 -","3","0.166667","TX2083","Bi, David Wenhua; Liu, Yong; Magrez, Arnaud","High-resolution crystal structure of the double nitrate hydrate [La(NO3)6]2[Ni(H2O)6]3·6H2O","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400327X","","","0.71073","MoKα","","0.0147","0.0134","","","0.0338","0.0342","","","","","","1.058","","","","has coordinates","291817","2024-05-11","01:51:13",""
"2023123","4.95281","0.00003","14.0515","0.0001","13.5208","0.0001","90","","95.1372","0.0006","90","","937.192","0.011","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3<i>Z</i>)-4-[(4-Amino-1,2,5-oxadiazol-3-yl)amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one","","- C6 H4 Br F3 N4 O2 -","- C6 H4 Br F3 N4 O2 -","- C24 H16 Br4 F12 N16 O8 -","4","1","TX2085","Guseinov, Firudin I.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Ovsyannikov, Viacheslav O.; Ugrak, Bogdan I.; Lavrova, Oksana M.; Samigullina, Aida I.; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of (3Z)-4-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004080","","x-ray","1.54184","CuKα","","0.0278","0.0275","","","0.0649","0.0651","","","","","","1.093","","","","has coordinates,has disorder","291818","2024-05-11","01:51:27",""
"2023124","9.5331","0.0007","8.9358","0.0003","14.0279","0.0007","90","","107.49","0.007","90","","1139.73","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Hydroxy-<i>N</i>,<i>N</i>-dimethyltryptamine","3-[2-(Dimethylamino)ethyl]-1<i>H</i>-indol-4-ol","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","HB8096","Zeller, Matthias; Parent, Stephan; Schultheiss, Nate","Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004201","","","1.54184","CuKα","","0.0785","0.0645","","","0.2089","0.2207","","","","","","1.132","","","","has coordinates,has disorder","291856","2024-05-15","01:58:40",""
"2023125","10.4041","0.0004","8.5286","0.0003","12.4087","0.0004","90","","92.5663","0.0019","90","","1099.95","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","HB8096","Zeller, Matthias; Parent, Stephan; Schultheiss, Nate","Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004201","","","0.71073","MoKα","","0.0652","0.0458","","","0.1248","0.1381","","","","","","1.054","","","","has coordinates","291856","2024-05-15","01:58:42",""
"2023126","10.6228","0.0005","8.4984","0.0004","12.5073","0.0005","90","","90.807","0.002","90","","1129.01","0.09","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","HB8096","Zeller, Matthias; Parent, Stephan; Schultheiss, Nate","Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004201","","","0.71073","MoKα","","0.0971","0.0523","","","0.1459","0.1715","","","","","","1.033","","","","has coordinates","291856","2024-05-15","01:58:42",""
"2023127","5.7032","0.0001","24.2184","0.0005","11.8683","0.0002","90","","91.312","0.002","90","","1638.85","0.05","160","0.1","160","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-(prop-1-en-2-yl)-1<i>H</i>-benzimidazol-2-one","","- C17 H21 N5 O -","- C17 H21 N5 O -","- C68 H84 N20 O4 -","4","1","WM5715","El Atrassi, Zakaria; Zouhair, Mustapha; Blacque, Olivier; Hökelek, Tuncer; Haoudi, Amal; Mazzah, Ahmed; Cherkaoui, Hassan; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, calculations of intermolecular interaction energies and energy frameworks and the DFT-optimized molecular structure of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-(prop-1-en-2-yl)-1H-benzimidazol-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004043","","x-ray","1.54184","CuKα","","0.0409","0.0336","","","0.0803","0.0855","","","","","","1.051","","","","has coordinates","291857","2024-05-15","01:58:59",""
"2023128","12.2214","0.0002","7.023","0.0001","13.0537","0.0003","90","","94.511","0.002","90","","1116.94","0.04","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","pentaaminecopper(II) chloride urea","Pentaaminecopper(II) dichloride–urea (1/1)","","- C H19 Cl2 Cu N7 O -","- C H19 Cl2 Cu N7 O -","- C4 H76 Cl8 Cu4 N28 O4 -","4","1","OO2003","Breen, Olivia D.; Keene, Tony D.","Crystal structure and Hirshfeld surface of a pentaaminecopper(II) complex with urea and chloride","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004298","","x-ray","1.54184","CuKα","","0.035","0.0332","","","0.0903","0.092","","","","","","1.078","","","","has coordinates","291858","2024-05-15","01:59:17",""
"2023129","5.1052","0.0003","5.1052","0.0003","11.08","0.0007","90","","90","","90","","288.78","0.03","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Lithium lutetium bis[orthomolybdate(VI)]","","- Li Lu Mo2 O8 -","- Li Lu Mo2 O8 -","- Li2 Lu2 Mo4 O16 -","2","0.125","WM5719","Hartenbach, Ingo; Hertweck, Robin F.","Mixed occupancy: the crystal structure of scheelite-type LiLu[MoO4]2","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004365","","x-ray","0.56083","AgKα","","0.0579","0.0186","","","0.0425","0.0483","","","","","","0.958","","","","has coordinates","291949","2024-05-18","01:51:20",""
"2023130","9.0384","0.0003","9.4484","0.0004","14.9524","0.0006","77.267","0.001","83.991","0.001","72.708","0.001","1188.16","0.08","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-[3-(2-Oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)propyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C62 H48 N8 O4 -","2","1","VM2302","Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 1-[3-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)propyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004377","","","0.71073","MoKα","","0.0665","0.0461","","","0.1319","0.1397","","","","","","1.081","","","","has coordinates","291950","2024-05-18","01:51:35",""
"2023131","16.9184","0.0013","6.523","0.0005","17.2645","0.0011","90","","111.822","0.004","90","","1768.8","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3'-[Ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one)","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","0.5","NX2010","Sadikhova, Nurlana D.; Akkurt, Mehmet; Ismayilov, Valeh M.; Yusubov, Niftali N.; Hasanov, Khudayar I.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 3,3′-[ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one) including an unknown solvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004286","","","0.71073","MoKα","","0.0672","0.0452","","","0.1066","0.118","","","","","","1.036","","","","has coordinates","291951","2024-05-18","01:51:49",""
"2023132","15.612","0.002","12.7649","0.0017","17.18","0.004","90","","116.243","0.005","90","","3070.8","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4-dimethyl-2-phenyl-2-oxazoline-κ<i>N</i>)(hexamethyldisilylamido-κ<i>N</i>)lithium","","- C28 H44 Li N3 O2 Si2 -","- C28 H44 Li N3 O2 Si2 -","- C112 H176 Li4 N12 O8 Si8 -","4","0.5","EJ2003","Carneiro Neto, José Severiano; Iwaya, Eduardo Mariano; Santana, Francielli Sousa; Soares, Jaísa Fernandes","Crystal structure of a three-coordinate lithium complex with monodentate phenyloxazoline and hexamethyldisilylamide ligands","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004237","","","0.71073","MoKα","","0.0492","0.0352","","","0.0865","0.0915","","","","","","1.039","","","","has coordinates","291952","2024-05-18","01:52:11",""
"2023133","12.9631","0.0011","11.3802","0.0005","13.1675","0.0011","90","","117.624","0.006","90","","1721.1","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4,4'-(Disulfanediyl)dipyridinium chloride triiodide","","- C10 H10 Cl I3 N2 S2 -","- C10 H10 Cl I3 N2 S2 -","- C40 H40 Cl4 I12 N8 S8 -","4","1","EE2006","Podda, Enrico; Aragoni, M. Carla; Caltagirone, Claudia; De Filippo, Greta; Garau, Alessandra; Lippolis, Vito; Mancini, Annalisa; Pintus, Anna; Orton, James B.; Coles, Simon J.; Arca, Massimiliano","Crystal structure of 4,4′-(disulfanediyl)dipyridinium chloride triiodide","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004213","","","0.71073","MoKα","","0.0259","0.022","","","0.0451","0.0463","","","","","","1.134","","","","has coordinates","291978","2024-05-22","01:52:43",""
"2023134","13.151","0.0004","8.5584","0.0002","18.2071","0.0006","90","","105.714","0.003","90","","1972.65","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-Methoxy-5-(2-methoxy-2-oxoethoxy)-2-(prop-2-en-1-yl)phenyl](quinolin-8-olato)platinum(II)","","- C22 H21 N O5.47 Pt -","- C22 H21 N O5.474 Pt -","- C88 H84 N4 O21.896 Pt4 -","4","1","PK2707","Chi, Nguyen Thi Thanh; Van Thong, Pham; Thang, Nguyen Manh; Thao, Pham Ngoc; Van Meervelt, Luc","Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural arylolefin and quinoline derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004572","","x-ray","0.71073","MoKα","","0.0256","0.0212","","","0.0511","0.0543","","","","","","1.102","","","","has coordinates","291979","2024-05-22","01:53:47",""
"2023135","8.2857","0.0004","18.5001","0.0009","14.6282","0.0007","90","","102.014","0.005","90","","2193.19","0.19","100.02","0.1","100.02","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[4-Methoxy-5-(2-oxo-2-propoxyethoxy)-2-(prop-2-en-1-yl)phenyl](quinoline-2-carboxylato)platinum(II)","","- C25 H25 N O6 Pt -","- C25 H25 N O6 Pt -","- C100 H100 N4 O24 Pt4 -","4","1","PK2707","Chi, Nguyen Thi Thanh; Van Thong, Pham; Thang, Nguyen Manh; Thao, Pham Ngoc; Van Meervelt, Luc","Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural arylolefin and quinoline derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004572","","x-ray","0.71073","MoKα","","0.0415","0.0334","","","0.0653","0.0701","","","","","","1.051","","","","has coordinates","291979","2024-05-22","01:53:50",""
"2023136","14.576","0.002","11.0945","0.0009","15.7","0.002","90","","117.197","0.018","90","","2258.2","0.6","114","7","114","7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido[4-methoxy-5-(2-oxo-2-propoxyethoxy)-2-(prop-2-en-1-yl)phenyl]\ (quinoline)platinum(II)","","- C24 H26 Cl N O4 Pt -","- C24 H26 Cl N O4 Pt -","- C96 H104 Cl4 N4 O16 Pt4 -","4","1","PK2707","Chi, Nguyen Thi Thanh; Van Thong, Pham; Thang, Nguyen Manh; Thao, Pham Ngoc; Van Meervelt, Luc","Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural arylolefin and quinoline derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004572","","","0.71073","MoKα","","0.0395","0.0296","","","0.0515","0.0556","","","","","","1.039","","","","has coordinates,has disorder","291979","2024-05-22","01:53:50",""
"2023137","8.8641","0.0003","22.0075","0.0006","6.2771","0.0002","90","","90","","90","","1224.52","0.07","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","2,9-Diamino-5,6,11,12-tetrahydrodibenzo[a,e][8]annulene","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","1","VM2301","Valdez, Nichole; Nagel, Eric; Redline, Erica; Rodriguez, Mark; Staiger, Chad; Dugger, Jason; Foster, Jeffrey","Synthesis and crystal structure of 2,9-diamino-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004468","","","1.54178","CuKα","","0.0593","0.0459","","","0.0982","0.1063","","","","","","1.081","","","","has coordinates","291980","2024-05-22","01:54:23",""
"2023138","6.8597","0.0002","10.8855","0.0004","12.8106","0.0005","107.566","0.001","100.523","0.001","106.799","0.001","834.02","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-[4-methyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline]dicadmium(II)]","","- C13 H12 Cd2 Cl4 N2 -","- C13 H12 Cd2 Cl4 N2 -","- C26 H24 Cd4 Cl8 N4 -","2","1","WM5718","Theppitak, Chatphorn; Laksee, Sakchai; Chainok, Kittipong","Synthesis, crystal structure and properties of poly[di-μ3-chlorido-di-μ2-chlorido-bis[4-methyl-N-(pyridin-2-ylmethylidene)aniline]dicadmium(II)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004274","","x-ray","0.71073","MoKα","","0.0546","0.0303","","","0.0588","0.0655","","","","","","1.027","","","","has coordinates","291981","2024-05-22","01:54:41",""
"2023139","10.4506","0.0004","15.6166","0.0006","22.3537","0.0009","90","","90.417","0.002","90","","3648.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(5,10,15,20-tetrakis(1-benzylpyridin-1-ium-4-yl)-21<i>H</i>,23<i>H</i>-porphyrin)calcium(II) tetrakis(trifluoromethanesulfonate) tetrahydrate","","- C72 H61.81 Ca0.1 F12 N8 O16 S4 -","- C72 H61.808 Ca0.096 F12 N8 O16 S4 -","- C144 H123.616 Ca0.192 F24 N16 O32 S8 -","2","0.5","NY2004","Salomón-Flores, María K.; Valdes-García, Josue; Martínez-Otero, Diego; Dorazco-González, Alejandro","Trifluoromethanesulfonate salt of 5,10,15,20-tetrakis(1-benzylpyridin-1-ium-4-yl)-21H,23H-porphyrin and its CaII complex","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400447X","","","1.54178","CuKα","","0.0464","0.0425","","","0.1212","0.1258","","","","","","1.035","","","","has coordinates,has disorder","291982","2024-05-22","01:55:03",""
"2023140","5.526","0.0001","8.5012","0.0001","10.1076","0.0002","110.91","0.002","98.128","0.001","96.006","0.001","432.885","0.014","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C19 H17 N O5 S -","1","1","OI2007","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynov, Elnur Z.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004687","","","1.54184","CuKα","","0.0227","0.0226","","","0.0586","0.0586","","","","","","1.063","","","","has coordinates","292030","2024-05-25","01:50:14",""
"2023141","14.1382","0.0005","15.3202","0.0005","18.3835","0.0007","72.09","0.0018","69.6031","0.0019","74.6737","0.0018","3495.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(6,9-Diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II)","","- C46 H32 N4 Ni O2 -","- C46 H32 N4 Ni O2 -","- C184 H128 N16 Ni4 O8 -","4","2","YY2012","Sharma, Meenakshi; Brückner, Christian; Zeller, Matthias","Crystal structure of (6,9-diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004717","","","0.71073","MoKα","","0.061","0.038","","","0.0915","0.103","","","","","","1.014","","","","has coordinates","292031","2024-05-25","01:50:52",""
"2023142","13.5009","0.0005","6.413","0.0002","17.9147","0.0007","90","","103.606","0.004","90","","1507.55","0.1","99.99","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(1,3-Benzothiazol-2-yl)-3-(4-bromobenzoyl)thiourea","","- C15 H10 Br N3 O S2 -","- C15 H10 Br N3 O S2 -","- C60 H40 Br4 N12 O4 S8 -","4","1","PK2706","Sow, Salif; Thiam, Mariama; Odame, Felix; Thiam, Elhadj Ibrahima; Diouf, Ousmane; Ellena, Javier; Gaye, Mohamed; Tshentu, Zenixole","Crystal structure of 1-(1,3-benzothiazol-2-yl)-3-(4-bromobenzoyl)thiourea","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","663","666","10.1107/S2056989024004742","","","0.71073","MoKα","","0.0334","0.024","","","0.0541","0.057","","","","","","1.026","","","","has coordinates","292154","2024-06-01","02:13:05",""
"2023143","18.0071","0.0003","18.0071","0.0003","62.9142","0.0009","90","","90","","120","","17667.2","0.5","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","","Pentasodium nonadecacesium tetracosatungstate(VI) heneikosahydrate","","- Cs19 H42 Na5 O105 W24 -","- Cs19 Na4.9999 O105 W24 -","- Cs114 Na29.9994 O630 W144 -","6","0.333333","WM5717","Deblonde, Gauthier; Colliard, Ian","Synthesis and structural characterization of a hydrated sodium–caesium tetracosatungstate(VI), Na5Cs19[W24O84]·21H2O","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","667","670","10.1107/S2056989024004778","","","0.71073","MoKα","","0.0645","0.0617","","","0.1669","0.1704","","","","","","1.079","","","","has coordinates","292155","2024-06-01","02:13:27",""
"2023144","8.2188","0.0004","13.8709","0.0007","20.837","0.0011","90","","96.062","0.002","90","","2362.2","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[(2-oxo-2<i>H</i>-chromen-6-yl)oxy]acetate","","- C13 H12 O5 -","- C13 H12 O5 -","- C104 H96 O40 -","8","1","JY2047","Goyal, Navneet; Donahue, James P.; Thompson, Anthony; Zhang, Xiaodong; Mague, Joel T.; Foroozesh, Maryam","Ethyl 2-[(2-oxo-2H-chromen-6-yl)oxy]acetate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","659","662","10.1107/S2056989024004729","","","0.71073","MoKα","","0.0467","0.0383","","","0.1066","0.1154","","","","","","1.076","","","","has coordinates","292156","2024-06-01","02:13:43",""
"2023145","19.0089","0.0007","9.7403","0.0003","16.7516","0.0006","90","","113.37","0.003","90","","2847.15","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diisothiocyanatotetrakis(4-methylpyridine)cobalt(II)","","- C26 H28 Co N6 S2 -","- C26 H28 Co N6 S2 -","- C104 H112 Co4 N24 S8 -","4","1","JP2006","Näther, Christian; Jochim, Aleksej","Synthesis, crystal structure and thermal properties of a new polymorphic modification of diisothiocyanatotetrakis(4-methylpyridine)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","677","681","10.1107/S2056989024004997","","","0.71073","MoKα","","0.0661","0.0579","","","0.1592","0.1638","","","","","","1.099","","","","has coordinates","292157","2024-06-01","02:13:59",""
"2023146","7.979","0.006","11.1","0.008","17.54","0.014","90","","99.04","0.03","90","","1534","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(Bromomethyl)-3-methyl-1-(phenylsulfonyl)-1<i>H</i>-indole","","- C16 H14 Br N O2 S -","- C16 H14 Br N O2 S -","- C64 H56 Br4 N4 O8 S4 -","4","1","NU2005","Madhan, S.; NizamMohideen, M.; Harikrishnan, K.; MohanaKrishnan, Arasambattu K.","The crystal structures and Hirshfeld surface analysis of three new bromo-substituted 3-methyl-1-(phenylsulfonyl)-1H-indole derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","682","690","10.1107/S2056989024004985","","","0.71073","MoKα","","0.0771","0.0456","","","0.1018","0.1178","","","","","","1.098","","","","has coordinates","292158","2024-06-01","02:14:27",""
"2023147","8.4252","0.0009","28.669","0.003","8.9462","0.0011","90","","95.445","0.004","90","","2151.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-2-(2-Bromo-5-methoxyphenyl)ethenyl]-3-methyl-1-(phenylsulfonyl)-1<i>H</i>-indole","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C96 H80 Br4 N4 O12 S4 -","4","1","NU2005","Madhan, S.; NizamMohideen, M.; Harikrishnan, K.; MohanaKrishnan, Arasambattu K.","The crystal structures and Hirshfeld surface analysis of three new bromo-substituted 3-methyl-1-(phenylsulfonyl)-1H-indole derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","682","690","10.1107/S2056989024004985","","","0.71073","MoKα","","0.0622","0.0391","","","0.088","0.0985","","","","","","1.029","","","","has coordinates","292158","2024-06-01","02:14:36",""
"2023148","12.553","0.0008","8.3533","0.0005","19.7698","0.0011","90","","107.078","0.002","90","","1981.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[(<i>E</i>)-2-(2-Bromophenyl)ethenyl]-3-methyl-1-(phenylsulfonyl)-1<i>H</i>-indole","","- C23 H18 Br N O2 S -","- C23 H18 Br N O2 S -","- C92 H72 Br4 N4 O8 S4 -","4","1","NU2005","Madhan, S.; NizamMohideen, M.; Harikrishnan, K.; MohanaKrishnan, Arasambattu K.","The crystal structures and Hirshfeld surface analysis of three new bromo-substituted 3-methyl-1-(phenylsulfonyl)-1H-indole derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","682","690","10.1107/S2056989024004985","","","0.71073","MoKα","","0.0495","0.0362","","","0.0792","0.0865","","","","","","1.099","","","","has coordinates","292158","2024-06-01","02:14:36",""
"2023149","10.689","0.006","11.321","0.006","19.03","0.011","75.306","0.007","84.362","0.007","86.829","0.007","2216","2","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","Tetraethylammonium triazidotri-μ~3~-sulfido-[μ~3~-(trimethylsilyl)azanediido][tris(3,5-dimethylpyrazol-1-yl)hydroborato]triiron(+2.33)molybdenum(VI)","","- C26 H51 B Fe3 Mo N17 S3 Si -","- C26 H51 B Fe3 Mo N17 S3 Si -","- C52 H102 B2 Fe6 Mo2 N34 S6 Si2 -","2","1","OI2008","Li, Yue; Wei, Jia; Han, Jie; Chen, Xu-Dong","Synthesis and crystal structure of the cluster (Et4N)[(Tp*)MoFe3S3(μ3-NSiMe3)(N3)3]","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","691","694","10.1107/S2056989024004833","","","0.71073","MoKα","","0.0371","0.0272","","","0.0659","0.0709","","","","","","1.021","","","","has coordinates","292159","2024-06-01","02:14:55",""
"2023150","18.6922","0.0005","18.7278","0.0005","24.4009","0.0006","89.992","0.002","70.083","0.001","85.978","0.002","8008.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2,8,14,20-Tetrahexyl-6,10:12,16:18,22:24,4-O,O'-tetrakis(quinoxaline-2,3-diyl)calix[4]resorcinarene–benzonitrile (1/2)","","- C98 H90 N10 O8 -","- C98 H90 N10 O8 -","- C392 H360 N40 O32 -","4","2","JW2007","Pinalli, Roberta; Massera, Chiara","Structural characterization of the supramolecular complex between a tetraquinoxaline-based cavitand and benzonitrile","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","671","676","10.1107/S205698902400481X","","","1.54178","CuKα","","0.0887","0.0644","","","0.1697","0.1895","","","","","","1.018","","","","has coordinates,has disorder","292160","2024-06-01","02:15:16",""
"2023187","14.5386","0.0003","9.3464","0.0002","15.4213","0.0004","90","","117.846","0.001","90","","1852.86","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(4-Phenyl-1<i>H</i>-1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexakis(nitrato-κ^2^<i>O</i>,<i>O</i>')thorate(IV)","","- C28 H26 N14 O18 Th -","- C28 H26 N14 O18 Th -","- C56 H52 N28 O36 Th2 -","2","0.5","JW2006","Rangarajan, Shalini; Sheokand, Sonu; Blair, Victoria L.; Deacon, Glen B.; Balakrishna, Maravanji S.","Synthesis, structural studies and Hirshfeld surface analysis of 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexakis(nitrato-κ2 O,O′)thorate(IV)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006352","","","0.71073","MoKα","","0.0197","0.0147","","","0.0327","0.0346","","","","","","1.048","","","","has coordinates","293328","2024-07-09","02:06:00",""
"2023188","5.1007","0.0001","6.9544","0.0002","9.047","0.0004","83.198","0.003","79.962","0.003","81.742","0.002","311.289","0.018","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diiodidocadmium(II)]-bis(μ-3-amino-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^2^:<i>N</i>^3^;κ^2^<i>N</i>^3^:<i>N</i>^2^]","","- C6 H10 Cd I2 N6 -","- C6 H10 Cd I2 N6 -","- C6 H10 Cd I2 N6 -","1","0.5","DJ2078","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 diiodide","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006418","","x-ray","0.71073","MoKα","","0.0708","0.0499","","","0.1162","0.1695","","","","","","1.167","","","","has coordinates","293329","2024-07-09","02:06:13",""
"2023189","6.4439","0.0009","6.4439","0.0009","4.226","0.0009","90","","90","","90","","175.48","0.05","100","","100","","","","","","","","","2","I 4/m","-I 4","87","Bismuth pentafluoride","Bismuth pentafluoride","","- Bi F5 -","- Bi F5 -","- Bi2 F10 -","2","0.125","WM5722","Wassermann, Tobias Burghardt; Kraus, Florian","Rerefinement of the crystal structure of BiF5","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024005759","","","0.71073","MoKα","","0.0163","0.0163","","","0.0419","0.0419","","","","","","1.12","","","","has coordinates","293348","2024-07-10","01:50:33",""
"2023190","8.00032","0.0001","15.14469","0.00018","18.9141","0.0002","90","","100.605","0.0012","90","","2252.53","0.05","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","4-(Dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate; <i>N</i>,<i>N</i>-dimethylpyridin-4-amine","","- C23 H27 N5 O4 S -","- C23 H27 N5 O4 S -","- C92 H108 N20 O16 S4 -","4","2","OX2006","Isobe, Mami; Kashiwagi, Yukiyasu; Kubono, Koji","Crystal structure of the 1:1 co-crystal 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate–N,N-dimethylpyridin-4-amine","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S205698902400642X","","x-ray","1.54184","CuKα","","0.0336","0.0325","","","0.0838","0.0848","","","","","","1.038","","","","has coordinates","293349","2024-07-10","01:50:56",""
"2023191","7.11266","0.00011","13.765","0.00018","24.385","0.0003","90","","90","","90","","2387.43","0.06","100","2","99.9","0.8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranosyl <i>N</i>'-cyano-<i>N</i>-phenylcarbamimidothioate","","- C22 H25 N3 O9 S -","- C22 H25 N3 O9 S -","- C88 H100 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","0.71073","MoKα","","0.0329","0.0286","","","0.0763","0.0787","","","","","","1.056","","","","has coordinates,has disorder","293350","2024-07-10","01:52:09",""
"2023192","10.10503","0.00014","14.5978","0.0002","16.4256","0.0002","90","","90","","90","","2422.96","0.06","100","2","99.9","0.8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <i>N</i>'-cyano-<i>N-</i>phenylcarbamimidothioate","","- C22 H25 N3 O9 S -","- C22 H25 N3 O9 S -","- C88 H100 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","0.71073","MoKα","","0.0373","0.031","","","0.0808","0.0843","","","","","","1.056","","","","has coordinates","293350","2024-07-10","01:52:14",""
"2023193","7.34295","0.00007","13.92258","0.00013","21.07464","0.00018","90","","90","","90","","2154.52","0.03","100","2","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <i>N</i>'-cyano-<i>N</i>-methylcarbamimidothioate","","- C17 H23 N3 O9 S -","- C17 H23 N3 O9 S -","- C68 H92 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","1.54184","CuKα","","0.0245","0.0243","","","0.0653","0.0654","","","","","","1.047","","","","has coordinates","293350","2024-07-10","01:52:16",""
"2023194","7.42044","0.00017","14.9634","0.0004","22.758","0.0005","90","","90","","90","","2526.93","0.1","100","2","99.9","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <i>N</i>'-cyano-<i>N</i>-<i>p</i>-tolylcarbamimidothioate","","- C23 H27 N3 O9 S -","- C23 H27 N3 O9 S -","- C92 H108 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","0.71073","MoKα","","0.0426","0.0359","","","0.0911","0.0944","","","","","","1.041","","","","has coordinates","293350","2024-07-10","01:52:17",""
"2023195","7.41967","0.00005","14.96519","0.00012","22.75622","0.00016","90","","90","","90","","2526.78","0.03","100","2","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <i>N</i>'-cyano-<i>N</i>-<i>p</i>-tolylcarbamimidothioate","","- C23 H27 N3 O9 S -","- C23 H27 N3 O9 S -","- C92 H108 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","1.54184","CuKα","","0.0228","0.0226","","","0.0592","0.0593","","","","","","1.038","","","","has coordinates","293350","2024-07-10","01:52:19",""
"2023196","13.6698","0.0017","19.781","0.002","8.1056","0.001","90","","99.388","0.008","90","","2162.4","0.4","305","2","305","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Methoxyphenyl)-<i>N</i>-{[1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}acetamide","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C96 H88 N8 O16 S4 -","4","1","NU2006","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The crystal structure determination and Hirshfeld surface analysis of N-acetyl-N-3-methoxyphenyl and N-phenylsulfonyl-N-(2,5-dimethoxyphenyl) derivatives of [1-(phenylsulfonyl)-1H-indol-2-yl]methanamine","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006649","","","1.54178","CuKα","","0.0994","0.0577","","","0.1376","0.1785","","","","","","1.066","","","","has coordinates","293351","2024-07-10","01:52:52",""
"2023197","13.463","0.009","17.193","0.012","11.532","0.007","90","","94.844","0.019","90","","2660","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(2,5-Dimethoxyphenyl)-<i>N</i>-{[1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide","","- C29 H26 N2 O6 S2 -","- C29 H26 N2 O6 S2 -","- C116 H104 N8 O24 S8 -","4","1","NU2006","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The crystal structure determination and Hirshfeld surface analysis of N-acetyl-N-3-methoxyphenyl and N-phenylsulfonyl-N-(2,5-dimethoxyphenyl) derivatives of [1-(phenylsulfonyl)-1H-indol-2-yl]methanamine","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006649","","","0.71073","MoKα","","0.0676","0.0569","","","0.1454","0.1544","","","","","","1.116","","","","has coordinates","293351","2024-07-10","01:52:53",""
"2023198","10.9966","0.0006","13.7147","0.001","17.9345","0.0009","90","","90","","90","","2704.8","0.3","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophenyl)-1<i>H</i>-1,2,4-triazol-3-yl]acetato-κ^2^<i>O</i>:<i>O</i>']","","- C11 H11 N3 O6 U -","- C11 H11 N3 O6 U -","- C88 H88 N24 O48 U8 -","8","1","EJ2005","Vashchenko, Oleksandr V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Stoica, Alexandru-Constantin; Vassilyeva, Olga Yu.; Lampeka, Rostyslav D.","Crystal structure of catena-poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophenyl)-1H-1,2,4-triazol-3-yl]acetato-κ2 O:O′]","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006637","","x-ray","0.71073","MoKα","","0.0481","0.0331","","","0.0522","0.0561","","","","","","1.047","","","","has coordinates","293407","2024-07-13","02:00:11",""
"2023199","3.8875","0.0001","9.3118","0.0002","14.7772","0.0003","104.228","0.002","93.211","0.002","98.219","0.002","510.87","0.02","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","2-Methyl-1,4-phenylene bis(3,5-dibromobenzoate)","","- C21 H12 Br4 O4 -","- C21 H12 Br4 O4 -","- C21 H12 Br4 O4 -","1","0.5","WM5727","Weeks, Nathan J.; Lauer, Moira K.; Balaich, Gary J.; Iacono, Scott T.","Crystal and molecular structure of 2-methyl-1,4-phenylene bis(3,5-dibromobenzoate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006820","","x-ray","1.54184","CuKα","","0.0194","0.0189","","","0.0479","0.0482","","","","","","1.111","","","","has coordinates,has disorder","293433","2024-07-17","01:50:23",""
"2023200","12.4983","0.0002","7.17223","0.00012","60.3774","0.0012","90","","94.1762","0.0017","90","","5397.9","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","12-α-Fluoro-3β-hydroxyolean-28,13β-olide methanol hemisolvate","","- C61 H98 F2 O7 -","- C61 H98 F2 O7 -","- C244 H392 F8 O28 -","4","2","YY2009","Eadsforth, Megan A.; Kong, Linghan; Whitehead, George; Vitórica-Yrezábal, Iñigo J.; O'Keefe, Raymond T.; Bryce, Richard A.; Whitehead, Roger C.","Structural determination of oleanane-28,13β-olide and taraxerane-28,14β-olide fluorolactonization products from the reaction of oleanolic acid with SelectfluorTM","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006480","","","1.54184","CuKα","","0.1039","0.0975","","","0.2713","0.2766","","","","","","1.045","","","","has coordinates","293435","2024-07-17","01:51:07",""
"2023201","6.6077","0.0002","13.873","0.0004","59.326","0.002","90","","90","","90","","5438.3","0.3","239.99","0.1","239.99","0.1","","","","","","","","4","C 2 2 21","C 2c 2","20","","12-α-Fluoro-3β-hydroxytaraxer-28,14β-olide methanol hemisolvate","","- C61 H98 F2 O7 -","- C61 H98 F2 O7 -","- C244 H392 F8 O28 -","4","0.5","YY2009","Eadsforth, Megan A.; Kong, Linghan; Whitehead, George; Vitórica-Yrezábal, Iñigo J.; O'Keefe, Raymond T.; Bryce, Richard A.; Whitehead, Roger C.","Structural determination of oleanane-28,13β-olide and taraxerane-28,14β-olide fluorolactonization products from the reaction of oleanolic acid with SelectfluorTM","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006480","","x-ray","1.54184","CuKα","","0.0746","0.0726","","","0.2015","0.2034","","","","","","1.094","","","","has coordinates,has disorder","293435","2024-07-17","01:51:08",""
"2023202","18.396","0.003","20.248","0.004","8.9338","0.0016","90","","90","","90","","3327.7","1","99.98","","99.98","","","","","","","","","3","P 21 21 2","P 2 2ab","18","Staudtienic acid","(1<i>S</i>,4a<i>S</i>,10a<i>R</i>)-1,4a-Dimethyl-7-(prop-2-en-1-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid","","- C20 H26 O2 -","- C20 H26 O2 -","- C160 H208 O16 -","8","2","DJ2072","Tonga Lembe, Jordan; Mphahlele, Precious Mokgadi; Kamdem Kengne, Michael Hermann; Jiyane, Pangaman; Djuidje Fotsing, Marthe Carine; Ardene, Charmaine; Mmutlane, Edwin Mpho; Ndinteh, Derek Tantoh","Crystal structure of Staudtienic acid, a diterpenoid from Staudtia kamerunensis Warb. (Myristicaceae)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024005000","","","0.71073","MoKα","","0.1048","0.0552","","","0.1137","0.1338","","","","","","1.017","","","","has coordinates,has disorder","293487","2024-07-20","01:58:14",""
"2023203","3.7283","0.0004","10.5275","0.0012","16.9073","0.0019","90","","94.604","0.002","90","","661.46","0.13","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Amino-3,5-difluorobenzonitrile","","- C7 H4 F2 N2 -","- C7 H4 F2 N2 -","- C28 H16 F8 N8 -","4","1","JQ2034","Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.","Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006819","","x-ray","0.71073","MoKα","","0.0578","0.0467","","","0.1233","0.1303","","","","","","1.086","","","","has coordinates","293488","2024-07-20","01:58:37",""
"2023204","14.877","0.003","8.9995","0.0018","13.635","0.003","90","","90","","90","","1825.5","0.7","100.15","","100.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 4-amino-3,5-difluorobenzoate","","- C9 H9 F2 N O2 -","- C9 H9 F2 N O2 -","- C72 H72 F16 N8 O16 -","8","1","JQ2034","Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.","Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006819","","x-ray","0.71073","MoKα","","0.0868","0.0599","","","0.1176","0.1307","","","","","","1.209","","","","has coordinates","293488","2024-07-20","01:58:38",""
"2023205","4.6106","0.0017","8.839","0.003","10.969","0.004","99.33","0.008","99.431","0.008","96.442","0.007","430.7","0.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","Diethyl 4,4'-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)","","- C18 H14 F4 N2 O4 -","- C18 H14 F4 N2 O4 -","- C18 H14 F4 N2 O4 -","1","0.5","JQ2034","Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.","Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006819","","x-ray","0.71073","MoKα","","0.064","0.0466","","","0.1381","0.1499","","","","","","1.009","","","","has coordinates","293488","2024-07-20","01:58:38",""
"2023206","7.0928","0.0005","14.3933","0.001","10.0419","0.0007","90","","90","","90","","1025.17","0.12","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Bromo-5,7-dimethoxy-2,3-dihydro-1<i>H</i>-inden-1-one","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","JY2050","Galla, Sri Hari; Sridhar, Jayalakshmi; Mague, Joel T.; Zhang, Xiaodong; White, Kira D.; Zhang, Qiang; Donahue, James P.","Crystal structure of 4-bromo-5,7-dimethoxy-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006522","","","0.71073","MoKα","","0.0282","0.0252","","","0.0551","0.0562","","","","","","1.08","","","","has coordinates","293489","2024-07-20","01:58:54",""
"2023207","11.6462","0.0003","13.9943","0.0004","16.9225","0.0005","90","","90","","90","","2758.04","0.13","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","","Bis[dithiobis(formamidinium)] hexabromidoruthenium dibromide trihydrate","","- C4 H22 Br8 N8 O3 Ru S4 -","- C4 H22 Br8 N8 O3 Ru S4 -","- C16 H88 Br32 N32 O12 Ru4 S16 -","4","0.25","NY2005","Rudnitskaya, Olga V.; Komarovskikh, Milena R.; Pekarskaya, Maria G.; Pshenichnyy, Daniil S.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, Ibrahim G.","Synthesis, molecular and crystal structure of [(NH2)2CSSC(NH2)2]2[RuBr6]Br2·3H2O","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006832","","","0.71073","MoKα","","0.0266","0.0227","","","0.0552","0.0567","","","","","","1.069","","","","has coordinates","293522","2024-07-24","01:57:00",""
"2023208","12.1857","0.0007","8.0515","0.0005","12.6153","0.0008","90","","105.49","0.002","90","","1192.77","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(η^5^-<i>tert</i>-butylcyclopentadienyl)tricarbonylmolybdenum(I)](<i>Mo</i>—<i>Mo</i>)","","- C24 H26 Mo2 O6 -","- C24 H26 Mo2 O6 -","- C48 H52 Mo4 O12 -","2","0.5","WM5725","Ibrahimova, Nigar Z.; Tagiyev, Dilgam B.; Lyatifov, Iltifat U.; Akkurt, Mehmet; Hasanov, Khudayar I.; Bhattarai, Ajaya","Crystal structure of bis[(η5-tert-butylcyclopentadienyl)tricarbonylmolybdenum(I)](Mo—Mo)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006959","","","0.71073","MoKα","","0.0362","0.0252","","","0.0495","0.0536","","","","","","1.027","","","","has coordinates","293523","2024-07-24","01:57:16",""
"2023212","12.5708","0.0003","14.8757","0.0005","23.1383","0.0007","84.392","0.003","82.291","0.002","85.686","0.002","4258.7","0.2","110.5","0.8","110.5","0.8","","","","","","","","7","P -1","-P 1","2","","Ben Tickner BJT004","","- C141.78 H168.72 Cl8 Cu20 Ir6 N18 O3.18 -","- C141.18 H168.72 Cl8 Cu20 Ir6 N18 O3.18 -","- C141.18 H168.72 Cl8 Cu20 Ir6 N18 O3.18 -","1","0.5","WM5728","Tickner, Ben. J.; Gammons, Richard; Whitwood, Adrian C.; Duckett, Simon B.","Pyrazine-bridged polymetallic copper–iridium clusters","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024007151","","x-ray","1.54184","CuKα","","0.0599","0.0537","","","0.1306","0.1336","","","","","","1.084","","","","has coordinates,has disorder","293562","2024-07-27","01:52:38",""
"2023213","17.3468","0.0003","10.40583","0.00019","9.87841","0.00016","90","","99.4243","0.0016","90","","1759.06","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(4-Bromophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate","","- C17 H13 Br N4 O5 -","- C17 H13 Br N4 O5 -","- C68 H52 Br4 N16 O20 -","4","1","ZV2035","Hakimov, Muminjon; Khozhimatova, Shakhnoza; Ortikov, Ilkhomjon; Abdugafurov, Ibragimdjan; Tojiboev, Akmaljon","Synthesis, crystal structure and Hirshfeld surface analysis of [1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","910","912","10.1107/S2056989024007436","","","1.54184","CuKα","","0.0439","0.0352","","","0.0878","0.0939","","","","","","1.061","","","","has coordinates","293618","2024-08-01","02:14:57",""
"2023214","7.6852","0.0007","14.3992","0.0012","8.7963","0.0007","90","","95.86","0.008","90","","968.32","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trichlorido(2-methylpyridine-κ<i>N</i>)gold(III)","","- C6 H7 Au Cl3 N -","- C6 H7 Au Cl3 N -","- C24 H28 Au4 Cl12 N4 -","4","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0314","0.0238","","","0.0482","0.0491","","","","","","0.927","","","","has coordinates","293619","2024-08-01","02:19:31",""
"2023215","7.8077","0.0008","16.4881","0.0015","7.6929","0.0009","90","","103.92","0.012","90","","961.26","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trichlorido(2-methylpyridine-κ<i>N</i>)gold(III)","","- C6 H7 Au Cl3 N -","- C6 H7 Au Cl3 N -","- C24 H28 Au4 Cl12 N4 -","4","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0349","0.0251","","","0.0485","0.0498","","","","","","0.999","","","","has coordinates","293619","2024-08-01","02:19:32",""
"2023216","8.0776","0.0004","14.723","0.0007","8.9682","0.0004","90","","96.617","0.005","90","","1059.45","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tribromido(2-methylpyridine-κ<i>N</i>)gold(III)","","- C6 H7 Au Br3 N -","- C6 H7 Au Br3 N -","- C24 H28 Au4 Br12 N4 -","4","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0447","0.0277","","","0.0379","0.0401","","","","","","0.797","","","","has coordinates","293619","2024-08-01","02:19:32",""
"2023217","18.6763","0.0006","6.78409","0.00014","18.4807","0.0005","90","","118.887","0.004","90","","2050.19","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tribromido(3-methylpyridine-κ<i>N</i>)gold(III)","","- C6 H7 Au Br3 N -","- C6 H7 Au Br3 N -","- C48 H56 Au8 Br24 N8 -","8","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0386","0.0263","","","0.0498","0.0535","","","","","","1.044","","","","has coordinates","293619","2024-08-01","02:19:33",""
"2023218","8.07477","0.00017","17.2853","0.0004","16.3527","0.0004","90","","90.818","0.002","90","","2282.19","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tribromido(2,4-dimethylpyridine-κ<i>N</i>)gold(III)","","- C7 H9 Au Br3 N -","- C7 H9 Au Br3 N -","- C56 H72 Au8 Br24 N8 -","8","2","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0385","0.0262","","","0.0451","0.0482","","","","","","1.046","","","","has coordinates","293619","2024-08-01","02:19:33",""
"2023219","7.624","0.0003","15.936","0.0006","9.2538","0.0004","90","","112.333","0.005","90","","1039.97","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trichlorido(3,5-dimethylpyridine-κ<i>N</i>)gold(III)","","- C7 H9 Au Cl3 N -","- C7 H9 Au Cl3 N -","- C28 H36 Au4 Cl12 N4 -","4","0.5","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0161","0.0144","","","0.0317","0.0322","","","","","","1.065","","","","has coordinates","293619","2024-08-01","02:19:33",""
"2023220","8.2506","0.0003","8.4726","0.0004","9.421","0.0004","113.828","0.004","103.543","0.004","98.368","0.004","563.93","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tribromido(3,5-dimethylpyridine-κ<i>N</i>)gold(III)","","- C7 H9 Au Br3 N -","- C7 H9 Au Br3 N -","- C14 H18 Au2 Br6 N2 -","2","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0336","0.0271","","","0.0563","0.0594","","","","","","1.063","","","","has coordinates","293619","2024-08-01","02:19:33",""
"2023221","11.0184","0.0003","10.66","0.0002","9.776","0.0003","90","","113.053","0.003","90","","1056.56","0.05","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trichlorido(2,6-dimethylpyridine-κ<i>N</i>)gold(III)","","- C7 H9 Au Cl3 N -","- C7 H9 Au Cl3 N -","- C28 H36 Au4 Cl12 N4 -","4","0.5","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0132","0.0125","","","0.0258","0.026","","","","","","1.119","","","","has coordinates","293619","2024-08-01","02:19:34",""
"2023222","9.1741","0.0009","11.1922","0.0009","11.4596","0.0007","83.99","0.006","80.777","0.006","69.147","0.008","1083.91","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tribromido(2-methylpyridine-κ<i>N</i>)gold(III)–tribromido(3,5-dimethylpyridine-κ<i>N</i>)gold(III)","","- C13 H16 Au2 Br6 N2 -","- C13 H16 Au2 Br6 N2 -","- C26 H32 Au4 Br12 N4 -","2","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.064","0.0354","","","0.0524","0.0552","","","","","","0.82","","","","has coordinates","293619","2024-08-01","02:19:34",""
"2023234","8.5437","0.0005","11.2672","0.0007","14.8534","0.0009","105.9","0.002","92.647","0.002","111.477","0.002","1262.4","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","hexaglycinium dodecaiodo-triplumbate","Hexaglycinium tetra-μ-iodido-octaiodidotriplumbate","","- C12 H36 I12 N6 O12 Pb3 -","- C12 H36 I12 N6 O12 Pb3 -","- C12 H36 I12 N6 O12 Pb3 -","1","0.5","JY2048","Tonoyan, Gayane S.; Giester, Gerald; Ghazaryan, Vahram V.; Chilingaryan, Ruben Yu.; Margaryan, Arthur A.; Mkrtchyan, Artak H.; Petrosyan, Aram M.","Crystal structure of hexaglycinium dodecaiodotriplumbate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007606","","","0.71073","MoKα","","0.0289","0.0216","","","0.037","0.0385","","","","","","1.028","","","","has coordinates","294019","2024-08-07","01:58:55",""
"2023235","7.4579","0.0004","8.4601","0.0005","9.8864","0.0006","97.073","0.002","98.474","0.002","100.644","0.002","599.06","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[aqua(2,2'-bipyridine)fluoridotin(II)] hexafluoridotin(IV)","","- C20 H20 F8 N4 O2 Sn3 -","- C20 H20 F8 N4 O2 Sn3 -","- C20 H20 F8 N4 O2 Sn3 -","1","0.5","OI2009","Röwekamp-Krugley, Natalia; Reuter, Hans","[SnF(bipy)(H2O)]2[SnF6], a mixed-valent inorganic tin(II)–tin(IV) compound","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007400","","","0.71073","MoKα","","0.0262","0.0223","","","0.0517","0.0533","","","","","","1.051","","","","has coordinates","294020","2024-08-07","01:59:09",""
"2023236","9.0494","0.0009","10.0326","0.0011","14.6932","0.0015","100.153","0.003","107.292","0.003","90.789","0.004","1250.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","Organic","(2<i>E</i>)-1-[3,5-Bis(benzyloxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one","","- C31 H28 O4 -","- C31 H28 O4 -","- C62 H56 O8 -","2","1","HB8103","Jeyashri, K. R.; Logeshwari, G.; Rajapandiyan, U.; Sivakumar, K.; Selvanayagam, S.; Manikandan, H.; Kaviyarasu, K.","Synthesis and crystal structure of (2E)-1-[3,5-bis(benzyloxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007552","","","0.71073","MoKα","","0.0881","0.0565","","","0.1501","0.1779","","","","","","1.048","","","","has coordinates","294021","2024-08-07","01:59:32",""
"2023237","9.3964","0.0008","20.2572","0.0016","9.9822","0.0007","90","","96.358","0.002","90","","1888.4","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κ<i>N</i>^4^)pyridine-κ<i>N</i>]palladium(II) dimethylformamide monosolvate","","- C15 H21 Cl2 N5 O Pd -","- C15 H21 Cl2 N5 O Pd -","- C60 H84 Cl8 N20 O4 Pd4 -","4","1","EX2086","Dyakonenko, Viktoriya V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Ivanova, Ganna V.; Lampeka, Rostyslav D.","Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN 4)pyridine-κN]palladium(II) dimethylformamide monosolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007801","","","0.71073","MoKα","","0.0724","0.0511","","","0.0874","0.0925","","","","","","1.124","","","","has coordinates","294161","2024-08-17","01:49:47",""
"2023238","9.406","0.0003","19.3779","0.0004","9.4225","0.0003","90","","97.925","0.002","90","","1701.02","0.08","100","0.1","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1,4,7,10,13,16-Hexaoxacyclooctadecane-1κ^6^<i>O</i>)(μ-oxalato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^1'^,<i>O</i>^2'^)triphenyl-2κ^3^<i>C</i>-potassium(I)tin(IV)","","- C32 H39 K O10 Sn -","- C32 H39 K O10 Sn -","- C64 H78 K2 O20 Sn2 -","2","1","NY2007","Song, Xueqing; Li, William; Torres, Yolanda; Greaves, Tazena","Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6 O)potassium-μ-oxalato-triphenylstannate(IV), the first reported 18-crown-6-stabilized potassium salt of triphenyloxalatostannate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007758","","x-ray","0.71073","MoKα","","0.0368","0.0327","","","0.0848","0.1049","","","","","","1.077","","","","has coordinates","294162","2024-08-17","01:50:05",""
"2023239","12.5184","0.0004","9.1855","0.0002","22.1339","0.0006","90","","105.133","0.0015","90","","2456.87","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-Bis(acetoxymethyl)-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene","{3-[(Acetyloxy)methyl]-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylphenyl}methyl acetate","","- C26 H36 N2 O4 -","- C26 H36 N2 O4 -","- C104 H144 N8 O16 -","4","1","EX2085","Stapf, Manuel; Miyyapuram, Venugopal Rao; Seichter, Wilhelm; Mazik, Monika","Synthesis and crystal structure of 1,3-bis(acetoxymethyl)-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007515","","","0.71073","MoKα","","0.0601","0.0422","","","0.1087","0.12","","","","","","1.025","","","","has coordinates","294163","2024-08-17","01:50:27",""
"2023240","9.229","0.003","19.235","0.006","30.058","0.01","90","","90","","90","","5336","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2-Chloroacetyl)-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one","","- C33 H29 Cl N2 O2 -","- C33 H29 Cl N2 O2 -","- C264 H232 Cl8 N16 O16 -","8","1","WM5730","Divyabharathi, Sivagnanam; Karthiga, Anjalai Ramachandran; Shalo, Rajans Reshwen; Rajeswari, Krishnan; Vidhyasagar, Thankakan; Selvanayagam, Sivashanmugam","Crystal structure, Hirshfeld surface analysis, DFT and the molecular docking studies of 3-(2-chloroacetyl)-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","981","985","10.1107/S2056989024008302","","","0.71073","MoKα","","0.155","0.07","","","0.1196","0.1509","","","","","","1.067","","","","has coordinates","294309","2024-08-31","02:04:12",""
"2023241","10.02487","0.00011","11.92992","0.00015","16.6237","0.0002","100.479","0.0011","100.124","0.001","111.131","0.0011","1759.25","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Diethyl {[(5-[2-(diethoxyphosphoryl)acetamido]-3-{2-[2-(diethoxyphosphoryl)acetamido]ethyl}pentyl)carbamoyl]methyl}phosphonate","","- C25 H52 N3 O12 P3 -","- C25 H52 N3 O12 P3 -","- C50 H104 N6 O24 P6 -","2","1","VU2007","Wackerle, Brandon G.; Werner, Eric J.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of a tris(2-aminoethyl)methane capped carbamoylmethylphosphine oxide compound","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","993","996","10.1107/S2056989024008478","","","1.54184","CuKα","","0.0435","0.0371","","","0.0952","0.0993","","","","","","1.072","","","","has coordinates,has disorder","294310","2024-08-31","02:04:31",""
"2023242","13.6667","0.0017","4.4102","0.0007","11.2816","0.0014","90","","90","","90","","679.97","0.16","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Poly[[μ-aqua-aquabis(μ~3~-carbamoylcyanonitrosomethanido)barium] monohydrate]","","- C6 H10 Ba N6 O7 -","- C6 H10 Ba N6 O7 -","- C12 H20 Ba2 N12 O14 -","2","0.5","YZ2057","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Ponomarova, Vira V.; Lysenko, Andrey B.; Krautscheid, Harald","Three-dimensional alkaline earth metal–organic framework poly[[μ-aqua-aquabis(μ3-carbamoylcyanonitrosomethanido)barium] monohydrate] and its thermal decomposition","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","986","992","10.1107/S2056989024008375","","","0.71073","MoKα","","0.0171","0.0169","","","0.0428","0.0429","","","","","","1.154","","","","has coordinates","294311","2024-08-31","02:04:51",""
"2023243","10.8691","0.0008","9.4578","0.0007","17.7217","0.0014","90","","104.364","0.003","90","","1764.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[6-Bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","","- C19 H18 Br2 N2 O -","- C19 H18 Br2 N2 O -","- C76 H72 Br8 N8 O4 -","4","1","NX2012","Pronina, Anastasia A.; Kutasevich, Alexandra G.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Javadzade, Tahir A.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","967","972","10.1107/S2056989024008144","","","0.71073","MoKα","","0.0468","0.029","","","0.0528","0.0574","","","","","","1.015","","","","has coordinates","294312","2024-08-31","02:05:06",""
"2023244","11.2716","0.0002","11.2716","0.0002","4.331","0.0001","90","","90","","90","","550.249","0.019","105","2","105","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","Propane-1,3-diaminium squarate dihydrate","Propane-1,3-diaminium 3,4-dioxocyclobutene-1,2-diolate dihydrate","","- C7 H16 N2 O6 -","- C7 H16 N2 O6 -","- C14 H32 N4 O12 -","2","0.25","PK2708","Seidel, Rüdiger W.; Kolev, Tsonko M.","Crystal structure of propane-1,3-diaminium squarate dihydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","973","975","10.1107/S2056989024008235","","","0.71073","MoKα","","0.0282","0.0268","","","0.069","0.0702","","","","","","1.093","","","","has coordinates","294313","2024-08-31","02:05:19",""
"2023245","6.5176","0.0013","9.4854","0.0019","15.967","0.002","90","","93.035","0.015","90","","985.7","0.3","200","0.1","200.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ-2,2'-(4<i>H</i>-1,2,4-triazole-3,5-diyl)diacetato]bis[diaquacopper(II)] dihydrate","","- C12 H22 Cu2 N6 O14 -","- C12 H22 Cu2 N6 O14 -","- C24 H44 Cu4 N12 O28 -","2","0.5","OI2010","Vynohradov, Oleksandr S.; Vashchenko, Oleksandr V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Lampeka, Rostyslav D.; Stoica, Alexandru-Constantin","Synthesis, crystal structure and Hirshfeld surface analysis of a new copper(II) complex based on diethyl 2,2′-(4H-1,2,4-triazole-3,5-diyl)diacetate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","976","980","10.1107/S2056989024008259","","","0.71073","MoKα","","0.0572","0.041","","","0.0912","0.0957","","","","","","1.004","","","","has coordinates","294314","2024-08-31","02:05:32",""
"2023246","21.03214","0.00018","8.61349","0.00006","16.69445","0.00013","90","","102.555","0.0008","90","","2952.05","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dihydro-2<i>H</i>-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate","","- C14 H13 N3 O6 S -","- C14 H13 N3 O6 S -","- C112 H104 N24 O48 S8 -","8","2","WM5724","Mukhammadiev, Salmon; Rajabov, Sarvar; Tojiboev, Akmaljon; Ashurov, Jamshid; Murodov, Sardor; Daminova, Shahlo","Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2H-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008557","","x-ray","1.54184","CuKα","","0.0378","0.0338","","","0.0962","0.0992","","","","","","1.055","","","","has coordinates","294669","2024-09-07","01:44:51",""
"2023247","7.14981","0.00011","9.79512","0.00011","10.74206","0.00014","90","","96.9437","0.0014","90","","746.784","0.017","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methoxy-5-nitroaniline","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","1","EV2011","Filley, Jonathan","Color center creation by dipole stacking in crystals of 2-methoxy-5-nitroaniline","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008739","","x-ray","1.54184","CuKα","","0.0392","0.0353","","","0.0927","0.0974","","","","","","1.057","","","","has coordinates","294712","2024-09-11","01:38:06",""
"2023248","6.2445","0.0008","13.2335","0.0016","13.4984","0.0016","79.168","0.002","88.671","0.002","78.962","0.002","1075.2","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Tris[(6-bromopyridin-2-yl)methyl]amine","","- C18 H15 Br3 N4 -","- C18 H15 Br3 N4 -","- C36 H30 Br6 N8 -","2","1","EV2008","Yan, Ran; Dai, Zhaohua; Shlian, Daniel G.; Mitchell, Trinit'y D.; Loo, Aaron; Mulosmani, Kaltrina; Upmacis, Rita K.","Molecular structure of tris[(6-bromopyridin-2-yl)methyl]amine","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008685","","","0.71073","MoKα","","0.0884","0.0452","","","0.0984","0.1139","","","","","","1.016","","","","has coordinates","294713","2024-09-11","01:38:20",""
"2023249","9.3404","0.0006","13.1888","0.0009","17.4549","0.0011","79.515","0.002","87.981","0.002","88.516","0.002","2112.6","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","3-Methyl-1-(2-thiocyanatoacetyl)-2,6-bis(4-methylphenyl)piperidin-4-one","1-[2-(Cyanosulfanyl)acetyl]-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one","","- C23 H24 N2 O2 S -","- C23 H24 N2 O2 S -","- C92 H96 N8 O8 S4 -","4","2","VU2005","Karthiga, A. R.; Divyabharathi, S.; Shalo, R. Reshwen; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structure, Hirshfeld surface analysis, DFT optimized molecular structure and the molecular docking studies of 1-[2-(cyanosulfanyl)acetyl]-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008508","","","0.71073","MoKα","","0.1594","0.0769","","","0.1859","0.2423","","","","","","1.052","","","","has coordinates,has disorder","294735","2024-09-13","01:33:45",""
"2023250","9.4289","0.001","9.6739","0.0009","11.4872","0.0011","90","","97.668","0.004","90","","1038.43","0.18","270","2","270","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4'-Cyano-[1,1'-biphenyl]-4-yl 3-(benzyloxy)benzoate","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C54 H38 N2 O6 -","2","1","HB8105","Harish Kumar, M.; Vinduvahini, M.; Devarajegowda, H. C.; Srinivasa, H. T.; Palakshamurthy, B. S.","Synthesis, crystal structure and Hirshfeld surface analysis of 4′-cyano-[1,1′-biphenyl]-4-yl 3-(benzyloxy)benzoate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008570","","","0.71073","MoKα","","0.0432","0.0379","","","0.0777","0.0795","","","","","","1.083","","","","has coordinates","294736","2024-09-13","01:34:01",""
"2023251","13.732","0.0001","8.2475","0.0001","15.5387","0.0002","90","","107.505","0.001","90","","1678.33","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-<i>N</i>-(2-Styrylphenyl)benzenesulfonamide","<i>N</i>-{2-[(<i>E</i>)-2-Phenylethenyl]phenyl}benzenesulfonamide","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C80 H68 N4 O8 S4 -","4","1","NX2013","Albert A. M., Dharani; Nagaraj, Achyuta; Somarathinam, Kanagasabai; Vinayagam, Pavunkumar; Arasambattu K., Mohanakrishnan; Kothandan, Gugan","Crystal structure and Hirshfeld surface analysis of (E)-N-(2-styrylphenyl)benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008892","","x-ray","1.54184","CuKα","","0.0329","0.0316","","","0.0834","0.0844","","","","","","1.073","","","","has coordinates","294840","2024-09-21","02:24:17",""
"2023252","11.087","0.003","11.758","0.005","11.991","0.003","90","","115.337","0.006","90","","1412.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Phenylselanyl)[1,2,4]selenadiazolo[4,5-<i>a</i>]pyridin-4-ylium chloride dichloromethane","","- C12.35 H9.7 Cl1.7 N2 Se2 -","- C12.352 H9.704 Cl1.704 N2 Se2 -","- C49.408 H38.816 Cl6.816 N8 Se8 -","4","1","JW2003","Temesgen, Ayalew W.; Tskhovrebov, Alexander G.; Artemjev, Alexey A.; Kubasov, Alexey S.; Novikov, Alexander S.; Borisov, Alexander V.; Kirichuk, Anatoly A.; Kritchenkov, Andreii S.; Le, Tuan Anh","Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008831","","","0.71073","MoKα","","0.0634","0.0432","","","0.0826","0.0881","","","","","","1.062","","","","has coordinates,has disorder","294841","2024-09-21","02:24:39",""
"2023253","10.297","0.004","10.94","0.004","11.711","0.005","63.57","0.03","72.47","0.03","62.92","0.03","1043.8","0.8","163","2","163","2","","","","","","","","6","P -1","-P 1","2","Indium(III)[5-nonanoyl-8-hydroxyquinolinate]dichloride monohydrate","Bis(μ~2~-5-nonanoylquinolin-8-olato)bis[aquadichloridoindium(III)]","","- C36 H48 Cl4 In2 N2 O6 -","- C36 H48 Cl4 In2 N2 O6 -","- C36 H48 Cl4 In2 N2 O6 -","1","0.5","JP2009","Fuhrmann, Betty; Meier, Eric; Mazik, Monika","Crystal structure of bis(μ2-5-nonanoylquinolin-8-olato)bis[aquadichloridoindium(III)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S205698902400882X","","x-ray","0.71073","MoKα","","0.0713","0.0388","","","0.0555","0.0606","","","","","","0.879","","","","has coordinates","294842","2024-09-21","02:25:13",""
"2023254","11.67627","0.00007","11.61861","0.00006","10.60662","0.00007","90","","107.593","0.0007","90","","1371.61","0.015","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[ethanol(μ-4-methylpyridine <i>N</i>-oxide)di-μ-thiocyanato-cobalt(II)]","","- C10 H13 Co N3 O2 S2 -","- C10 H13 Co N3 O2 S2 -","- C40 H52 Co4 N12 O8 S8 -","4","1","PK2710","Näther, Christian; Jess, Inke","Synthesis and crystal structure of poly[ethanol(μ-4-methylpyridine N-oxide)di-μ-thiocyanato-cobalt(II)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009058","","x-ray","1.54184","CuKα","","0.0223","0.0221","","","0.0581","0.0582","","","","","","1.051","","","","has coordinates","294843","2024-09-21","02:26:26",""
"2023255","11.9686","0.0012","21.18","0.002","20.107","0.002","90","","92.659","0.007","90","","5091.5","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","A1/A2-Bromobutoxy–hydroxy difunctionalized pillar[5]arene– hexanedinitrile (1/1)","","- C53 H61.18 Br0.82 N2 O10 -","- C52.9988 H61.1838 Br0.8153 N2 O9.9997 -","- C211.995 H244.735 Br3.2612 N8 O39.9988 -","4","1","JQ2036","Vinodh, Mickey; Al-Azemi, Talal F.","Crystal structure and supramolecular features of a host–guest inclusion complex based on A1/A2-hetero-difunctionalized pillar[5]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009216","","","0.71075","MoKα","","0.0951","0.0541","","","0.1479","0.1702","","","","","","1.017","","","","has coordinates,has disorder","294881","2024-09-25","02:05:46",""
"2023256","11.3889","0.0008","15.6537","0.0011","12.5193","0.0009","90","","99.92","0.002","90","","2198.6","0.3","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-Diisobutoxy-1,1'-binaphthalene","","- C28 H30 O2 -","- C28 H30 O2 -","- C112 H120 O8 -","4","1","HB8104","Coulibaly, Pénayori Marie-Aimée; Ziki, Eric; Bisseyou, Yvon Bibila Mayaya; Camara, Tchambaga Etienne; Coulibaly, Souleymane; Sissouma, Drissa","Synthesis, non-spherical structure refinement and Hirshfeld surface analysis of racemic 2,2′-diisobutoxy-1,1′-binaphthalene","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009101","","","0.71073","MoKα","","0.0352","0.0226","","","0.0441","0.0502","","","","","","1.0755","","","","has coordinates","294882","2024-09-25","02:06:02",""
"2023257","7.0557","0.0005","14.5923","0.0008","17.4171","0.0013","90","","92.253","0.009","90","","1791.9","0.2","170","2","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-chlorido-μ-(2,3-dimethylpyrazine)-copper(I)] ethanol hemisolvate]","","- C7 H11 Cl Cu N2 O0.5 -","- C7 H11 Cl Cu N2 O0.5 -","- C56 H88 Cl8 Cu8 N16 O4 -","8","2","NX2014","Näther, Christian; Jess, Inke","Synthesis and crystal structure of poly[[μ-chlorido-μ-(2,3-dimethylpyrazine)-copper(I)] ethanol hemisolvate], which shows a new isomeric CuCl(2,3-dimethylpyrazine) network","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009174","","","0.71073","MoKα","","0.0558","0.0378","","","0.0917","0.0998","","","","","","1.014","","","","has coordinates,has disorder","294883","2024-09-25","02:06:19",""
"2023258","19.1227","0.001","19.1227","0.001","7.477","0.0005","90","","90","","120","","2367.9","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","Hexakis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II) dinitrate","","- C24 H36 N14 O6 Zn -","- C24 H36 N14 O6 Zn -","- C72 H108 N42 O18 Zn3 -","3","0.5","YY2011","Magwa, Nomampondo Penelope; Rashamuse, Thompho Jason","Synthesis, characterization, and crystal structure of hexakis(1-methyl-1H-imidazole-κN 3)zinc(II) dinitrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008806","","x-ray","0.71073","MoKα","","0.036","0.0315","","","0.0829","0.0904","","","","","","1.121","","","","has coordinates","294884","2024-09-25","02:06:39",""
"2023259","5.8838","0.0008","11.6532","0.0015","12.3276","0.0016","84.722","0.006","78.442","0.005","81.94","0.005","818.14","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Sulfamethoxazolium methyl sulfate monohydrate","4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilinium methyl sulfate monohydrate","","- C11 H17 N3 O8 S2 -","- C11 H17 N3 O8 S2 -","- C22 H34 N6 O16 S4 -","2","1","EX2088","Moroni, Aldana B.; Bottoso, Tiago; Lionello, Diego F.; Vega, Daniel R.; Kaufman, Teodoro S.; Calvo, Natalia L.","Synthesis, crystal structure and Hirshfeld surface analysis of sulfamethoxazolium methylsulfate monohydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009204","","","0.71073","MoKα","","0.0568","0.043","","","0.089","0.1","","","","","","1.058","","","","has coordinates","294885","2024-09-25","02:06:54",""
"2023260","9.1085","0.0009","13.1958","0.0013","14.9869","0.0014","90","","102.261","0.003","90","","1760.2","0.3","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trichloro-phenyl-(1,10-phenanthroline)-tin(iv)","Trichlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')phenyltin(IV)","","- C18 H13 Cl3 N2 Sn -","- C18 H13 Cl3 N2 Sn -","- C72 H52 Cl12 N8 Sn4 -","4","1","ZN2038","Benlatreche, Tarek; Bensegueni, Mohamed Abdellatif; Dénès, Georges; Golhen, Stéphane; Merazig, Hocine","Crystal structure and Hirshfeld surface analysis of trichlorido(1,10-phenanthroline-κ2 N,N′)phenyltin(IV)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009150","","","0.71073","MoKα","","0.0289","0.0246","","","0.0523","0.0545","","","","","","1.142","","","","has coordinates","294886","2024-09-25","02:07:09",""
"2023261","8.4699","0.0005","9.7818","0.0005","12.9026","0.0011","77.238","0.006","89.207","0.006","78.038","0.005","1019.37","0.12","291.15","","291.15","","","","","","","","","6","P -1","-P 1","2","","8-Hydroxyquinolinium trichlorido(pyridine-2,6-dicarboxylic acid-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II) dihydrate","","- C16 H17 Cl3 Cu N2 O7 -","- C16 H17 Cl3 Cu N2 O7 -","- C32 H34 Cl6 Cu2 N4 O14 -","2","1","EJ2008","Nazarov, Yusufjon Eshkobilovich; Turaev, Khayit Khudainazarovich; Suyunov, Jabbor Ruziboevich; Alimnazarov, Bekmurod Khurramovich; Rasulov, Abdusamat Abdujabborovich; Ibragimov, Bakhtiyar Tulyaganovich; Ashurov, Jamshid Mengnorovich","8-Hydroxyquinolinium trichlorido(pyridine-2,6-dicarboxylic acid-κ3 O,N,O′)copper(II) dihydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009186","","x-ray","1.54184","CuKα","","0.0611","0.0415","","","0.0937","0.1046","","","","","","1.013","","","","has coordinates","294887","2024-09-25","02:07:30",""
"2023262","12.8451","0.0014","7.4508","0.0007","15.9284","0.0017","90","","96.965","0.003","90","","1513.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-[Bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)","","- C14 H16 Cd Cl N3 S -","- C14 H16 Cd Cl N3 S -","- C56 H64 Cd4 Cl4 N12 S4 -","4","1","YZ2058","Reynolds, Todd M.; Berry, Steven M.; Bebout, Deborah C.","Crystal structure and Hirshfeld surface analysis of {2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1081","1086","10.1107/S2056989024009198","","","0.71073","MoKα","","0.0153","0.0148","","","0.0348","0.0353","","","","","","1.078","","","","has coordinates","294949","2024-10-01","02:14:07",""
"2023263","9.5599","0.0004","11.8056","0.0005","17.5322","0.0007","94.808","0.002","104.562","0.002","95.408","0.002","1894.7","0.14","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","2,3,5-Triphenyltetrazol-3-ium chloride hemipentahydrate","","- C19 H20 Cl N4 O2.5 -","- C19 H20 Cl N4 O2.5 -","- C76 H80 Cl4 N16 O10 -","4","2","HB8107","Uppu, Rao M.; Chikkula, Krishnaveni; Saneei, Soheil; Babu, Sainath; Fronczek, Frank R.","Structure of 2,3,5-triphenyltetrazol-3-ium chloride hemipentahydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1097","1100","10.1107/S205698902400940X","","","0.56086","AgKα","","0.078","0.0632","","","0.134","0.1413","","","","","","1.158","","","","has coordinates","294950","2024-10-01","02:14:35",""
"2023264","14.2552","0.0004","9.0574","0.0002","23.0043","0.0007","90","","96.703","0.003","90","","2949.9","0.14","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Bis(triisopropylphosphane sulfide)gold(I) tetrachloridoaurate(III)","Bis[tris(propan-2-yl)-λ^5^-phosphanethione-κ<i>S</i>]gold(I) tetrachloridoaurate(III)","","- C18 H42 Au2 Cl4 P2 S2 -","- C18 H42 Au2 Cl4 P2 S2 -","- C72 H168 Au8 Cl16 P8 S8 -","4","1","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0463","0.0282","","","0.0449","0.0491","","","","","","1.047","","","","has coordinates","294951","2024-10-01","02:15:40",""
"2023265","11.7607","0.0003","16.4174","0.0004","17.2173","0.0004","79.931","0.002","76.467","0.002","78.015","0.002","3133.59","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H46 Au2 Cl4 P2 S2 -","- C20 H46 Au2 Cl4 P2 S2 -","- C80 H184 Au8 Cl16 P8 S8 -","4","2","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0488","0.0297","","","0.0495","0.0547","","","","","","1.052","","","","has coordinates","294951","2024-10-01","02:15:41",""
"2023266","8.5541","0.0002","9.155","0.0003","12.0421","0.0004","107.427","0.003","97.511","0.003","102.841","0.003","857.31","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(tri-<i>tert</i>-butylphosphane sulfide)gold(I) tetrachloridoaurate(III)","Bis(tri-<i>tert</i>-butylphosphane sulfide-κ<i>S</i>)gold(I) tetrachloridoaurate(III)","","- C24 H54 Au2 Cl4 P2 S2 -","- C24 H54 Au2 Cl4 P2 S2 -","- C24 H54 Au2 Cl4 P2 S2 -","1","0.5","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0204","0.0161","","","0.0365","0.0382","","","","","","1.094","","","","has coordinates","294951","2024-10-01","02:15:41",""
"2023267","13.7871","0.0004","10.4042","0.0003","22.724","0.0006","90","","93.035","0.003","90","","3255.04","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Au2 Br4 P2 S2 -","- C20 H46 Au2 Br4 P2 S2 -","- C80 H184 Au8 Br16 P8 S8 -","4","1","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0601","0.0459","","","0.1032","0.1117","","","","","","1.015","","","","has coordinates","294951","2024-10-01","02:15:41",""
"2023268","13.7265","0.0003","10.5615","0.0003","22.7782","0.0005","90","","94.096","0.002","90","","3293.78","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(<i>tert</i>-butyldiisopropylphosphane selenide)gold(I) tetrabromidoaurate(III)","Bis[<i>tert</i>-butylbis(propan-2-yl)-λ^5^-phosphaneselanone-κ<i>Se</i>]gold(I) tetrabromidoaurate(III)","","- C20 H46 Au2 Br4 P2 Se2 -","- C20 H46 Au2 Br4 P2 Se2 -","- C80 H184 Au8 Br16 P8 Se8 -","4","1","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0516","0.0298","","","0.0445","0.049","","","","","","1.027","","","","has coordinates","294951","2024-10-01","02:15:42",""
"2023269","8.4858","0.0004","9.3738","0.0004","11.991","0.0005","105.533","0.004","97.476","0.004","99.318","0.004","891.63","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(tri-<i>tert</i>-butylphosphane sulfide)gold(I) tetrabromidoaurate(III)","Bis(tri-<i>tert</i>-butylphosphane sulfide)gold(I) tetrabromidoaurate(III)","","- C24 H54 Au2 Br4 P2 S2 -","- C24 H54 Au2 Br4 P2 S2 -","- C24 H54 Au2 Br4 P2 S2 -","1","0.5","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0212","0.0165","","","0.0314","0.0325","","","","","","1.06","","","","has coordinates","294951","2024-10-01","02:15:42",""
"2023270","8.4403","0.0004","9.2135","0.0004","12.6496","0.0005","106.172","0.004","101.1","0.004","97.485","0.004","909.28","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(tri-<i>tert</i>-butylphosphane selenide)gold(I) tetrabromidoaurate(III)","Bis(tri-<i>tert</i>-butylphosphane selenide-κ<i>Se</i>)gold(I) tetrabromidoaurate(III)","","- C24 H54 Au2 Br4 P2 Se2 -","- C24 H54 Au2 Br4 P2 Se2 -","- C24 H54 Au2 Br4 P2 Se2 -","1","0.5","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0284","0.0204","","","0.0344","0.0358","","","","","","1.062","","","","has coordinates","294951","2024-10-01","02:15:42",""
"2023271","5.782","0.0003","26.5057","0.0014","11.7704","0.0005","90","","90.407","0.004","90","","1803.84","0.15","160","0.1","160","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Hexyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-(1-methylethenyl)benzimidazol-2-one","","- C19 H25 N5 O -","- C19 H25 N5 O -","- C76 H100 N20 O4 -","4","1","WM5732","El Atrassi, Zakaria; Benzekri, Zakaria; Blacque, Olivier; Hökelek, Tuncer; Mazzah, Ahmed; Cherkaoui, Hassan; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, and calculations of intermolecular interaction energies and energy frameworks of 1-[(1-hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(1-methylethenyl)-benzimidazol-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1075","1080","10.1107/S2056989024008703","","x-ray","1.54184","CuKα","","0.0561","0.0452","","","0.1164","0.1273","","","","","","1.026","","","","has coordinates,has disorder","294952","2024-10-01","02:16:09",""
"2023272","13.15698","0.00017","13.5836","0.00018","17.547","0.0003","88.5722","0.0012","87.003","0.0012","79.7149","0.0011","3080.99","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","(η^2^:η^2^-Cycloocta-1,5-diene)(η^6^-toluene)iridium(I) tri-μ-chlorido-bis({3-[(di-<i>tert</i>-butylphosphanyl)oxy]-9,10-dioxoanthracen-2-yl}hydridoiridium(III)) toluene monosolvate,","","- C66 H78 Cl3 Ir3 O6 P2 -","- C66 H78 Cl3 Ir3 O6 P2 -","- C132 H156 Cl6 Ir6 O12 P4 -","2","1","JY2049","Thackeray, Sachin; Mahoney, James; Arrington, Ashleigh; Wilklow-Marnell, Miles; Brennessel, William W.","Crystal structures of the (η2:η2-cycloocta-1,5-diene)(η6-toluene)iridium(I) cation and μ-chlorido-iridium(III) complexes of 2-(phosphinito)- and 2-(phosphinomethyl)anthraquinone ligands","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1101","1109","10.1107/S2056989024008922","","x-ray","1.54184","CuKα","","0.0432","0.0353","","","0.0886","0.0919","","","","","","1.04","","","","has coordinates,has disorder","294953","2024-10-01","02:16:30",""
"2023273","8.8215","0.0003","12.1331","0.0004","14.4895","0.0003","81.5747","0.0019","84.576","0.002","76.465","0.003","1488.57","0.08","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis(carbonyl{3-[(di-<i>tert</i>-butylphosphanyl)oxy]-9,10-dioxoanthracen-2-yl}hydridoiridium(I))","","- C48 H54 Cl2 Ir2 O6 P2 -","- C48 H54 Cl2 Ir2 O6 P2 -","- C48 H54 Cl2 Ir2 O6 P2 -","1","0.5","JY2049","Thackeray, Sachin; Mahoney, James; Arrington, Ashleigh; Wilklow-Marnell, Miles; Brennessel, William W.","Crystal structures of the (η2:η2-cycloocta-1,5-diene)(η6-toluene)iridium(I) cation and μ-chlorido-iridium(III) complexes of 2-(phosphinito)- and 2-(phosphinomethyl)anthraquinone ligands","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1101","1109","10.1107/S2056989024008922","","x-ray","1.54184","CuKα","","0.0298","0.027","","","0.0662","0.0671","","","","","","1.064","","","","has coordinates","294953","2024-10-01","02:16:31",""
"2200000","8.506","0.0007","7.4661","0.0007","10.733","0.001","90","","102.626","0.002","90","","665.13","0.1","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","ricciocarpin A","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","AC6193","Wang, Yanmei; Tan, Geok-Kheng; Koh, Lip-Lin; Harrison, Leslie J.","Ricciocarpin A","Acta Crystallographica Section E","2005","61","11","o3800","o3801","10.1107/S1600536805028011","","","0.71073","MoKα","","0.0654","0.0613","","","0.1441","0.1462","","","","","","1.192","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200001","8.92","0.004","16.282","0.008","18.504","0.009","90","","90","","90","","2687","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-Methyl 4-methyl-2-(1H-pyrrole-2-carboxamido)pentanoate","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C96 H144 N16 O24 -","8","2","AC6205","Xiang-Chao Zeng; Po-Run Liu","(<i>S</i>)-Methyl 4-methyl-2-(1<i>H</i>-pyrrole-2-carboxamido)pentanoate","Acta Crystallographica Section E","2005","61","11","o3726","o3727","10.1107/S1600536805032393","","","0.71073","MoKα","","0.0758","0.0419","","","0.1013","0.1202","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200002","18.564","0.003","10.6834","0.0017","28.51","0.004","90","","90","","90","","5654.3","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl- 8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,5-d]pyrimidin-4(3H)-one","","- C28 H23 Cl4 N3 O2 S -","- C28 H23 Cl4 N3 O2 S -","- C224 H184 Cl32 N24 O16 S8 -","8","1","AC6207","Liu, Jian-Chao; He, Hong-Wu; Ding, Ming-Wu","2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl-8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one dichloromethane solvate","Acta Crystallographica Section E","2005","61","11","o3686","o3687","10.1107/S1600536805032381","","","0.71073","MoKα","","0.1142","0.087","","","0.195","0.2112","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200003","12.613","0.007","6.701","0.004","22.383","0.012","90","","94.086","0.01","90","","1887","1.8","273","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","aqua{6,6'-dimethoxy-2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato- κ^2^N,O}oxovanadium(IV) monohydrate","","- C18 H22 N2 O7 V -","- C18 H22 N2 O7 V -","- C72 H88 N8 O28 V4 -","4","1","AC6209","Buqin Jing; Lianzhi Li; Daqi Wang; Tao Xu; Xinglin Guo","Aqua[<i>N</i>,<i>N</i>'-ethylenebis(<i>o</i>-vanillylideniminato-κ^2^<i>N</i>,<i>O</i>)]oxovanadium(IV) monohydrate","Acta Crystallographica Section E","2005","61","11","m2244","m2246","10.1107/S1600536805031843","","","0.71073","MoKα","","0.0965","0.0485","","","0.1021","0.1259","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200004","5.419","0.002","7.438","0.002","17.814","0.003","90","","92.94","0.02","90","","717.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalanine benzoic acid solvate","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","AT6033","J. Suresh; R. V. Krishnakumar; S. Natarajan","<small>L</small>-Phenylalanine‒benzoic acid (1/1)","Acta Crystallographica Section E","2005","61","11","o3625","o3627","10.1107/S1600536805031661","","","0.71073","MoKα","","0.112","0.071","","","0.164","0.187","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200005","6.388","0.001","14.182","0.002","21.107","0.003","90","","90","","90","","1912.2","0.5","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyproterone","6-chloro-1,2-dihydro-17-hydroxy-3'H-cyclopropa[a]pregna-1,4,6-triene- 3,20-dione","","- C22 H27 Cl O3 -","- C22 H27 Cl O3 -","- C88 H108 Cl4 O12 -","4","1","AT6034","de Ruyck, Jérôme; Henry de Hassonville, Sandrine; Liégeois, Jean-François; Wouters, Johan","Cyproterone and a comparison with its acetate ester","Acta Crystallographica Section E","2005","61","11","o3576","o3578","10.1107/S1600536805031673","","","1.54178","CuKα","","0.0367","0.036","","","0.1018","0.1027","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200006","8.0749","0.0014","19.795","0.003","10.1321","0.0017","90","","98.28","0.002","90","","1602.7","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-3-(2,6-Dichlorophenyl)-1-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop- 2-en-1-one","","- C16 H10 Cl2 N4 O -","- C16 H10 Cl2 N4 O -","- C64 H40 Cl8 N16 O4 -","4","1","AT6036","Liu, Jian-Bing; Dai, Hong; Tao, Wei-Feng; Jin, Zhong; Fang, Jian-Xin","(<i>Z</i>)-3-(2,6-Dichlorophenyl)-1-(pyridin-3-yl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","11","o3599","o3601","10.1107/S1600536805031454","","","0.71073","MoKα","","0.0407","0.0314","","","0.0828","0.0868","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200007","5.3054","0.0012","7.8287","0.0019","19.88","0.005","86.953","0.004","87.262","0.004","74.451","0.004","793.9","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N-(2-Hydroxyethyl)pyrazine-2-carboxamide","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C28 H36 N12 O8 -","4","2","AT6037","Zhang, Ming-Hua; Zheng, Shu-Ling; Zhou, Jian; Liu, Shang-Yuan; Zhao, Zeng-Guo","<i>N</i>-(2-Hydroxyethyl)pyrazine-2-carboxamide","Acta Crystallographica Section E","2005","61","11","o3568","o3570","10.1107/S1600536805031326","","","0.71073","MoKα","","0.094","0.049","","","0.116","0.134","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200008","6.9055","0.0014","7.0086","0.0014","10.074","0.002","71.62","0.03","76.09","0.03","71.93","0.03","434.34","0.18","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxypyridinium-1-acetate dihydrate","","- C7 H11 N O5 -","- C7 H11 N O5 -","- C14 H22 N2 O10 -","2","1","AT6038","Zhu-Yan Zhang; Li-Hua Huo; Shan Gao; Jing-Gui Zhao","3-Hydroxypyridinium-1-acetate dihydrate","Acta Crystallographica Section E","2005","61","11","o3589","o3591","10.1107/S1600536805031442","","","0.71073","MoKα","","0.0518","0.0402","","","0.1066","0.1128","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200009","5.2027","0.0002","17.8203","0.0007","19.0427","0.0007","90","","90","","90","","1765.52","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene- 1,3-dicarboxylato-κ^3^O:O',O'']","","- C18 H13 Mn N3 O7 -","- C18 H13 Mn N3 O7 -","- C72 H52 Mn4 N12 O28 -","4","1","AT6039","Xie, Gang; Zeng, Ming-Hua; Chen, San-Ping; Gao, Sheng-Li","<i>catena</i>-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene-1,3-dicarboxylato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']","Acta Crystallographica Section E","2005","61","11","m2273","m2275","10.1107/S1600536805031892","","","0.71073","MoKα","","0.0702","0.0451","","","0.0999","0.1133","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200010","12.932","0.006","7.532","0.003","24.322","0.011","90","","101.236","0.009","90","","2323.6","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Acetyl-4-methyl-2-phenylamino-1,3-thiazole","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C96 H96 N16 O8 S8 -","8","2","AT6042","Kasim, Noor Azilah M.; Yamin, Bohari M.","5-Acetyl-4-methyl-2-phenylamino-1,3-thiazole","Acta Crystallographica Section E","2005","61","11","o3794","o3795","10.1107/S160053680503326X","","","0.71073","MoKα","","0.098","0.055","","","0.111","0.125","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200011","9.1978","0.0011","22.423","0.003","14.8597","0.0018","90","","103.287","0.002","90","","2982.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triaqua(2,2'-bipyridine)copper(II) 7-oxadibenzofluorene-3,11-disulfonate dihydrate","","- C30 H28 Cu N2 O12 S2 -","- C30 H28 Cu N2 O12 S2 -","- C120 H112 Cu4 N8 O48 S8 -","4","1","BD6010","Guo, Li-Rong; Jiang, Long; Tan, Min-Yu","Triaqua(2,2'-bipyridine)copper(II) 7-oxadibenzofluorene-3,11-disulfonate dihydrate","Acta Crystallographica Section E","2005","61","11","m2259","m2261","10.1107/S1600536805031855","","","0.71073","MoKα","","0.0802","0.0474","","","0.1167","0.1381","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200012","7.3671","0.0017","6.02","0.002","13.689","0.003","90","","105.551","0.012","90","","584.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Tyrosinamide hydrochloride monohydrate","1-carbamoyl-2-(4-hydroxyphenyl)ethylammonium chloride monohydrate","","- C9 H15 Cl N2 O3 -","- C9 H15 Cl N2 O3 -","- C18 H30 Cl2 N4 O6 -","2","1","BH6029","Kolev, Tsonko; Spiteller, Michael; Sheldrick, William S.; Mayer-Figge, Heike; van Almsick, Tobias","<small>L</small>-Tyrosinamide hydrochloride monohydrate","Acta Crystallographica Section E","2005","61","11","o3819","o3821","10.1107/S1600536805033131","","","0.71073","MoKα","","0.0342","0.0292","","","0.076","0.0786","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200013","5.8623","0.0008","8.1322","0.001","30.674","0.004","90","","91.45","0.002","90","","1461.9","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-[(1-benzyl-2-hydroxyethylimino)methyl]-4-nitrophenol","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","2","BH6033","Pradeep, Chullikkattil P.","Intramolecular hydrogen transfer in (<i>S</i>)-2-[(1-benzyl-2-hydroxyethylimino)methyl]-4-nitrophenol, a new chiral Schiff base","Acta Crystallographica Section E","2005","61","11","o3825","o3827","10.1107/S1600536805033581","","","0.71073","MoKα","","0.053","0.0414","","","0.1014","0.1081","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200014","14.565","0.003","16.839","0.003","20.092","0.004","90","","110.47","0.03","90","","4616.6","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mer-Tris(isothiocyanato)tris(ethyldiphenylphosphine oxide)iron(III)","","- C45 H45 Fe N3 O3 P3 S3 -","- C45 H45 Fe N3 O3 P3 S3 -","- C180 H180 Fe4 N12 O12 P12 S12 -","4","1","BH6034","Olejnik, Zofia; Lis, Tadeusz; Ondrejkovičová, Iveta; Malo, Jozef; Galková, Sylvia","<i>mer</i>-Tris(ethyldiphenylphosphine oxide)tris(isothiocyanato)iron(III)","Acta Crystallographica Section E","2005","61","11","m2314","m2316","10.1107/S1600536805032319","","","0.71073","MoKα","","0.0884","0.047","","","0.1003","0.1139","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200015","6.628","0.001","10.218","0.001","19.889","0.001","90","","90","","90","","1347","0.3","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","BT6000","Yokochi, Alex F. T.; White, James D.; Sturtz, George","Vulgarone B","Acta Crystallographica Section E","2001","57","1","o99","o101","10.1107/S1600536800020079","","","1.54178","CuKα","","0.056","0.05","","","","0.132","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200016","5.807","0.0012","8.097","0.0016","18.513","0.004","90","","98.35","0.03","90","","861.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-Ethylenebis(p-toluenesulfonamide)","","- C16 H20 N2 O4 S2 -","- C16 H20 N2 O4 S2 -","- C32 H40 N4 O8 S4 -","2","0.5","BT6001","Gajadhar-Plummer, Alison S.; Kahwa, Ishenkumba A.; Mague, Joel T.","<i>N</i>,<i>N</i>'-Ethylenebis(<i>p</i>-toluenesulfonamide)","Acta Crystallographica Section E","2001","57","1","o68","o69","10.1107/S1600536800020298","","","0.71073","MoKα","","0.055","0.036","","","","0.11","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200017","18.2451","0.0016","18.2451","0.0016","10.6667","0.0008","90","","90","","90","","3550.8","0.5","240","","240","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","","","- C8 H14 N2 -","- C8 H14 N2 -","- C128 H224 N32 -","16","1","CF6000","Foces-Foces, Concepción; Trofimenko, Swiatoslaw","5-<i>tert</i>-Butyl-3-methyl-1<i>H</i>-pyrazole at 240K","Acta Crystallographica Section E","2001","57","1","o32","o34","10.1107/S1600536800018511","","","1.54178","CuKα","","0.109","0.088","","0.138","","0.117","","","0.982","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200018","11.148","0.003","5.822","0.002","10.813","0.004","90","","110.39","0.02","90","","657.8","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dl-homoproline, dl-pipecolic acid","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","CF6001","Stapleton, Clynton P. D.; Tiekink, Edward R. T.","<small>DL</small>-Piperidine-2-carboxylic acid","Acta Crystallographica Section E","2001","57","1","o75","o76","10.1107/S1600536800020092","","","0.71069","MoKα","","0.05","0.035","","","","0.128","","","","","","0.98","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200019","11.609","0.005","18.907","0.005","9.878","0.005","90","","95.462","0.005","90","","2158.3","1.5","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C54 H56 N4 -","- C54 H56 N4 -","- C108 H112 N8 -","2","0.5","CF6002","Kubo, Kanji; Yamamoto, Emi; Sakurai, Tadamitsu; Mori, Akira","<i>N,N</i>',<i>N</i>'',<i>N</i>'''-Tetrakis(1-naphthylmethyl)-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section E","2001","57","1","o1","o3","10.1107/S1600536800017323","","","0.71073","MoKα","","0.29","0.052","","","","0.163","","","","","","0.87","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200020","6.648","0.004","5.119","0.0009","13.124","0.005","90","","99.36","0.02","90","","440.7","0.3","100","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Azidoacetamide","","- C2 H4 N4 O -","- C2 H4 N4 O -","- C8 H16 N16 O4 -","4","1","CF6003","Kumasaki, Mieko; Kinbara, Kazushi; Wada, Yuji; Arai, Mitsuru; Tamura, Masamitsu","Azidoacetamide, a neutral small organic azide","Acta Crystallographica Section E","2001","57","1","o6","o8","10.1107/S160053680001850X","","","0.71073","MoKα","","","0.05","","","","0.095","","","","","","1.14","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200021","7.9964","0.001","18.6031","0.001","10.9254","0.001","90","","101.274","0.005","90","","1593.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","6,7-dimethyl-3a,8a-dihydro-3H-8-oxa-cyclopenta[a]inden-5-yl benzoate","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","CF6004","Czugler, Mátyás; Bombicz, Petra","6,7-Dimethyl-3a,8a-dihydro-3<i>H</i>-8-oxacyclopenta[<i>a</i>]inden-5-yl benzoate","Acta Crystallographica Section E","2001","57","1","o37","o38","10.1107/S1600536800018821","","","0.7107","MoKα","","0.131","0.052","","","","0.158","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200022","10.1202","0.0003","9.9645","0.0003","13.8592","0.0005","90","","110.774","0.0011","90","","1306.73","0.07","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8-(2-Phenylethylamino)quinoline","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","CF6005","Lynch, Daniel E.; McClenaghan, Ian","8-(2-Phenylethylamino)quinoline","Acta Crystallographica Section E","2001","57","1","o4","o5","10.1107/S1600536800017864","","","0.71073","MoKα","","0.076","0.046","","","","0.126","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200023","20.281","0.003","8.925","0.002","6.053","0.001","90","","93.112","0.012","90","","1094","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","oxazolidine disulfide","R,R-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide","","- C22 H28 N2 O2 S2 -","- C22 H28 N2 O2 S2 -","- C44 H56 N4 O4 S4 -","2","0.5","CF6006","Schulz Lang, Ernesto; Burrow, Robert A.; Braga, Antonio Luiz; Appelt, Helmoz Roseniaim; Schneider, Paulo Henrique; Silveira, Claudio Cruz; Wessjohann, Ludger A.","<i>R</i>,<i>R</i>-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide","Acta Crystallographica Section E","2001","57","1","o41","o42","10.1107/S160053680001878X","","","0.71073","MoKα","","0.066","0.034","","","","0.087","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200024","17.0355","0.0009","17.0355","0.0009","12.3934","0.0005","90","","90","","120","","3114.8","0.3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","aqua(malonato)cadmium(II) hydrate","","- C3 H6 Cd O6 -","- C3 H6 Cd O6 -","- C54 H108 Cd18 O108 -","18","1","CF6007","Naumov, Pancě; Ristova, Mirjana; Sǒptrajanov, Bojan; Kim, Moon-Jib; Lee, Han-Jun; Ng, Seik Weng","A rhombohedral polymorph of aqua(malonato)cadmium(II) hydrate","Acta Crystallographica Section E","2001","57","1","m14","m16","10.1107/S1600536800018833","","","0.71073","MoKα","","0.034","0.03","","","","0.088","","","","","","1.15","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200025","17.473","0.005","5.916","0.002","10.346","0.003","90","","118.69","0.02","90","","938.2","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2-hydroxyethylammonium) oxalate","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C24 H64 N8 O24 -","4","0.5","CF6008","Jordanovska, Vera; Naumov, Pancě; Kim, Moon-Jib; Lee, Han-Jun; Ng, Seik Weng","Bis(2-hydroxyethylammonium) oxalate","Acta Crystallographica Section E","2001","57","1","o45","o47","10.1107/S160053680001881X","","","0.71073","MoKα","","0.089","0.041","","","","0.114","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200027","7.3171","0.0003","10.6462","0.0006","21.0401","0.0014","90","","90","","90","","1639.01","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β,11β-Epoxy-3β-hydroxy-5α-androstan-17-one","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","CF6010","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","9β,11β-Epoxy-3β-hydroxy-5α-androstan-17-one","Acta Crystallographica Section E","2001","57","1","o39","o40","10.1107/S1600536800018845","","","1.5418","CuKα","","0.037","0.036","","","","0.103","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200028","8.061","0.002","12.449","0.003","11.132","0.003","90","","109.73","0.01","90","","1051.5","0.5","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","CF6012","Taylor, Max R.; Thompson, Malcolm J.","4-Nitrophenanthrene","Acta Crystallographica Section E","2001","57","1","o9","o10","10.1107/S1600536800018766","","","0.71073","MoKα","","0.058","0.049","","0.12","","0.11","","","1.03","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200029","14.88","0.002","4.6251","0.0005","20.043","0.003","90","","100.963","0.019","90","","1354.2","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-benzotriazole","","- C16 H12 N4 O -","- C16 H12 N4 O -","- C64 H48 N16 O4 -","4","2","CF6013","Swaleh, Sauda, M.; Ziemer, Burkhard","2-[(2-Phenyl-1,3-oxazol-4-yl)methyl]-2<i>H</i>-1,2,3-benzotriazole","Acta Crystallographica Section E","2001","57","1","o35","o36","10.1107/S1600536800018808","","","0.71073","MoKα","","0.061","0.04","","","","0.082","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200030","13.299","0.003","19.82","0.001","6.6531","0.0007","90","","90","","90","","1753.7","0.4","297","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 Cl Co N6 O8 -","- C10 H24 Cl Co N6 O8 -","- C40 H96 Cl4 Co4 N24 O32 -","4","1","CF6015","Ohba, Shigeru; Yamada, Naoki; Eishima, Makoto","<i>trans</i>-Dinitro(1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) perchlorate","Acta Crystallographica Section E","2001","57","1","m12","m13","10.1107/S1600536800018778","","","0.71073","MoKα","","","0.035","","","","0.108","","","","","","1.08","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200031","11.05","0.002","18.964","0.004","8.1307","0.0016","90","","108.87","0.03","90","","1612.2","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Amino-6-imidium-1,3,5-dithiazol-4-ene iodide","","- C3 H6 I N3 S2 -","- C3 H6 I N3 S2 -","- C24 H48 I8 N24 S16 -","8","1","CF6017","Lynch, Daniel E.; McClenaghan, Ian","6-Amino-4-iminio-4<i>H</i>-1,3,5-dithiazole iodide","Acta Crystallographica Section E","2001","57","1","o70","o71","10.1107/S160053680002047X","","","0.71073","MoKα","","0.046","0.044","","","","0.109","","","","","","1.05","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200032","15.9111","0.0006","5.0374","0.0002","17.1233","0.0009","90","","113.933","0.0017","90","","1254.44","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11H-Pyridinium[2,3h]-7,8,9,10-tetrahydrocarbazole chloride","","- C15 H15 Cl N2 -","- C15 H15 Cl N2 -","- C60 H60 Cl4 N8 -","4","1","CF6018","Lynch, Daniel E.; McClenaghan, Ian","7,8,9,10-Tetrahydro-11<i>H</i>-pyrido[2,3-<i>a</i>]carbazol-1-ium chloride","Acta Crystallographica Section E","2001","57","1","o43","o44","10.1107/S1600536800019644","","","0.71073","MoKα","","0.102","0.048","","","","0.105","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200033","7.1704","0.0003","6.6685","0.0006","7.4937","0.0006","90","","99.555","0.005","90","","353.35","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","3-carboxypyridinium chloride","3-carboxypyridinium chloride","","- C6 H6 Cl N O2 -","- C6 H6 Cl N O2 -","- C12 H12 Cl2 N2 O4 -","2","0.5","CF6022","Slouf, Miroslav","3-Carboxypyridinium chloride","Acta Crystallographica Section E","2001","57","1","o61","o62","10.1107/S1600536800019632","","","0.7107","MoKα","","0.036","0.031","","","","0.077","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200034","8.405","0.002","10.2633","0.0014","15.9652","0.0015","90","","90","","90","","1377.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-(2-Aminoethyl)-N,N-bis(3-aminopropyl)amine]dichlorocobalt(III) chloride","","- C8 H22 Cl3 Co N4 -","- C8 H22 Cl3 Co N4 -","- C32 H88 Cl12 Co4 N16 -","4","1","CF6023","Fanshawe, Rachel L.; Clark, Charles R.; Blackman, Allan G.","[<i>N</i>-(2-Aminoethyl)-<i>N</i>,<i>N</i>-bis(3-aminopropyl)amine]dichlorocobalt(III) chloride, [Co(abap)Cl~2~]Cl","Acta Crystallographica Section E","2001","57","1","m17","m18","10.1107/S1600536800019656","","","0.71073","MoKα","","0.025","0.023","","","","0.051","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200035","15.787","0.003","14.359","0.003","9.163","0.0015","90","","111.59","0.02","90","","1931.4","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) dichloromethane solvate","","- C21 H16 Cl2 Cu N2 O2 -","- C21 H16 Cl2 Cu N2 O2 -","- C84 H64 Cl8 Cu4 N8 O8 -","4","1","CF6024","Baggio, Ricardo; Garland, Maria Teresa; Atria, Ana María; Hidalgo, Oscar; Solezi, Santiago","{2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) dichloromethane solvate","Acta Crystallographica Section E","2001","57","1","m19","m20","10.1107/S1600536800019668","","","0.71073","MoKα","","0.074","0.048","","","","0.108","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200036","10.287","0.0014","10.729","0.002","13.1233","0.0013","90","","112.423","0.013","90","","1338.9","0.4","150","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","CF6025","Coles, Simon J.; Hibbs, David E.; Hursthouse, Michael B","5-<i>tert</i>-Butylperoxy-5-(oxiran-2-yl)-1-(prop-2-ynyl)pyrrolidin-2-one","Acta Crystallographica Section E","2001","57","1","o66","o67","10.1107/S1600536800020018","","","0.71069","MoKα","","","0.04","","","","0.096","","","","","","0.91","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200037","6.887","0.001","18.847","0.003","14.947","0.003","90","","105.08","0.01","90","","1873.3","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl3 N3 -","- C20 H14 Cl3 N3 -","- C80 H56 Cl12 N12 -","4","1","CF6026","Camalli, Mercedes; Pifferi, Augusto; Costi, Roberta; Di Santo, Roberto; Massa, Silvio; Artico, Marino","1-{[4-(4-Chlorophenyl)-1<i>H</i>-pyrrol-3-yl](2,4-dichlorophenyl)methyl}-1<i>H</i>-imidazole (RDS 416)","Acta Crystallographica Section E","2001","57","1","o96","o98","10.1107/S1600536800020699","","","0.71069","MoKα","","0.041","0.041","","0.056","","0.056","","","0.9","","","0.9","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200038","12.3112","0.001","6.8401","0.0005","13.1658","0.001","90","","116.507","0.002","90","","992.14","0.13","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-Naphthyloxyacetic acid","2-Naphthalenyloxyethanoic acid","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","1","CF6027","Howie, R. Alan; Skakle, Janet M. S.; Wardell, Solange M. S. V.","Redetermination of 2-(naphthalen-2-yloxy)ethanoic acid","Acta Crystallographica Section E","2001","57","1","o72","o74","10.1107/S1600536800020080","","","0.71073","MoKα","","0.131","0.049","","","","0.126","","","","","","0.82","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200039","8.857","0.003","17.813","0.011","24.085","0.003","90","","90","","90","","3800","3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Di(isobutanoato)-2,2',3,3',4,4'-hexaacetato-α,α-trehalose monohydrate","","- C32 H47.4 O19.7 -","- C32 H47.404 O19.702 -","- C128 H189.616 O78.808 -","4","1","CF6028","Clow, Simon M.; Cox, Philip J.; Gilmore, Graham I.; Wardell, James L.","2,2',3,3',4,4'-Hexaacetato-6,6'-bis(isobutanoyl)-α,α-trehalose 0.7-hydrate","Acta Crystallographica Section E","2001","57","1","o77","o78","10.1107/S1600536800020705","","","0.71073","MoKα","","0.243","0.04","","","","0.1","","","","","","0.39","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200040","7.2926","0.0002","9.3642","0.0003","13.1208","0.0005","90","","90","","90","","896.01","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Thiazolidine-2,4-dione","","- C3 H3 N O2 S -","- C3 H3 N O2 S -","- C24 H24 N8 O16 S8 -","8","1","CF6032","Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E.","Redetermination of 1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2001","57","1","o79","o80","10.1107/S1600536800020717","","","0.71073","MoKα","","0.035","0.031","","","","0.083","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","194444","2020-10-21","18:00:00",""
"2200041","4.8724","0.0003","15.2803","0.0009","10.694","0.0007","90","","101.84","0.003","90","","779.25","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Moschamindole","{2-(3-methoxy-4-hydroxyphenyl)}-dihydrofuro[kl]-1H- pyrrolo[fg]-2-oxo-1,2,3,4,5,6-hexahydro-3-benzazocine","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","CF6033","Cox, Philip J.; Fergusson, Margot; Nahar, Lutfun; Sarker, Satyajit D.","Moschamindole","Acta Crystallographica Section E","2001","57","1","o81","o82","10.1107/S1600536800020730","","","0.71073","MoKα","","0.088","0.046","","","","0.097","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200042","10.6185","0.0004","7.1517","0.0004","11.3701","0.0005","90","","111.523","0.003","90","","803.24","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methoxy-3-nitropyridinium chloride","","- C6 H7 Cl N2 O3 -","- C6 H7 Cl N2 O3 -","- C24 H28 Cl4 N8 O12 -","4","1","CF6034","Lynch, Daniel E.; McClenaghan, Ian","4-Methoxy-3-nitropyridinium chloride","Acta Crystallographica Section E","2001","57","1","o83","o84","10.1107/S1600536800020729","","","0.71073","MoKα","","0.078","0.043","","","","0.121","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200043","28.4777","0.0013","8.602","0.0003","14.2055","0.0005","90","","102.562","0.0013","90","","3396.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(4-chlorophenylthio)pyrimidine","","- C32 H22 Cl4 N6 S4 -","- C32 H22 Cl4 N6 S4 -","- C128 H88 Cl16 N24 S16 -","4","1","NA6000","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-4,6-bis(4-chlorophenylthio)pyrimidine","Acta Crystallographica Section E","2001","57","1","o11","o12","10.1107/S160053680001761X","","","0.71073","MoKα","","0.119","0.056","","","","0.148","","","","","","0.965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200044","7.4145","0.0012","8.145","0.002","10.299","0.003","98.95","0.02","105.103","0.018","108.424","0.017","550.2","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","N,N'-diacetyl-1,13-diaza-24-crown-8","N,N'-Diacetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane","","- C20 H38 N2 O8 -","- C20 H38 N2 O8 -","- C20 H38 N2 O8 -","1","0.5","NA6001","Bryan, Jeffrey C.; Marchand, Alan P.; Hazlewood, Anna","<i>N</i>,<i>N</i>'-Diacetyl-1,13-diaza-24-crown-8","Acta Crystallographica Section E","2001","57","1","o13","o15","10.1107/S1600536800017852","","","0.71073","MoKα","","0.037","0.032","","","","0.087","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200045","16.397","0.003","10.819","0.002","7.6737","0.0015","90","","90","","90","","1361.3","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","8-(Isoindol-1,3-dione-2-yl)aminoquinoline","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","1","NA6002","Lynch, Daniel E.; McClenaghan, Ian","<i>N</i>-(8-Quinolylamino)phthalimide","Acta Crystallographica Section E","2001","57","1","o16","o17","10.1107/S1600536800018109","","","0.71073","MoKα","","0.066","0.048","","","","0.099","","","","","","1.184","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200046","8.0995","0.0005","11.7771","0.0004","24.3528","0.0016","90","","99.473","0.003","90","","2291.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dibromo Zinc(tmeda)","Dibromo(N,N,N',N'-tetramethylethane-1,2-diamine)zinc(II)","","- C6 H16 Br2 N2 Zn -","- C6 H16 Br2 N2 Zn -","- C48 H128 Br16 N16 Zn8 -","8","2","NA6003","Citeau, Helene; Conrad, Olaf; Giolando, Dean M.","Dibromo(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)zinc(II)","Acta Crystallographica Section E","2001","57","1","m5","m6","10.1107/S1600536800018201","","","0.71073","MoKα","","0.08","0.045","","","","0.112","","","","","","0.981","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200047","7.4228","0.0002","10.146","0.0001","11.3559","0.0003","102.474","0.001","90.989","0.002","98.544","0.002","824.7","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-[4-(3,5-Dimethoxy-2-methylphenoxy)-2,6-dihydroxy-3-methylphenyl]ethanone","","- C18 H20 O6 -","- C18 H20 O6 -","- C36 H40 O12 -","2","1","NA6004","Karalai, Chatchanok; Saewon, Nisakorn; Chantrapromma, Kan; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul","1-[4-(3,5-Dimethoxy-2-methylphenoxy)-2,6-dihydroxy-3-methylphenyl]ethanone","Acta Crystallographica Section E","2001","57","1","o18","o19","10.1107/S1600536800018213","","","0.71073","MoKα","","0.115","0.084","","","","0.228","","","","","","1.006","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200048","10.796","0.0005","18.1687","0.0008","20.1886","0.001","90","","90","","90","","3960","0.3","200","3","200","3","","","","","","","","3","P b c a","-P 2ac 2ab","61","P2 I5 GaI4","1,1,1,2,2-Pentaiododiphosphanium tetraiodogallate(III)","","- Ga I9 P2 -","- Ga I9 P2 -","- Ga8 I72 P16 -","8","1","NA6005","Aubauer, Christoph; Klapötke, Thomas M.; Mayer, Peter","1,1,1,2,2-Pentaiododiphosphanium tetraiodogallate(III)","Acta Crystallographica Section E","2001","57","1","i1","i2","10.1107/S1600536800018419","","","0.71073","MoKα","","0.036","0.027","","","","0.076","","","","","","0.963","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200049","14.132","0.004","14.738","0.006","17.031","0.004","65.79","0.03","88.1","0.03","67.88","0.03","2966","2","193","","193","","","","","","","","","5","P -1","-P 1","2","Bis[1,2-bis(diphenylphosphino)ethane-P,P'](dithioformato-S,S')technetium tris(benzene) solvate","","","- C71 H67 P4 S2 Tc -","- C71 H67 P4 S2 Tc -","- C142 H134 P8 S4 Tc2 -","2","1","NA6006","Bryan, Jeffrey C.; Burrell, Anthony K.; Kubas, Gregory J.","Bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>'](dithioformato-<i>S</i>,<i>S</i>')technetium tris(benzene) solvate","Acta Crystallographica Section E","2001","57","1","m1","m2","10.1107/S1600536800017840","","","0.71073","MoKα","","0.066","0.035","","","","0.104","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200050","10.3872","0.001","10.5518","0.0009","12.8953","0.0011","67.185","0.006","72.62","0.009","83.849","0.008","1243.3","0.2","203","","293","","","","","","","","","6","P -1","-P 1","2","chlorobis[1,2-ethanediylbis(diphenylphosphine)-P,P'](thiocarbonyl-C)technetium","","","- C59 H54 Cl P4 S Tc -","- C59 H54 Cl P4 S Tc -","- C59 H54 Cl P4 S Tc -","1","0.5","NA6007","Bryan, Jeffrey C.; Burrell, Anthony K.; Kubas, Gregory J.","[TcCl(CS)(dppe)~2~]·C~6~H~6~","Acta Crystallographica Section E","2001","57","1","m23","m24","10.1107/S1600536800019486","","","0.71073","MoKα","","0.04","0.032","","","","0.098","","","","","","1.24","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200051","13.687","0.002","15.856","0.001","7.7761","0.0009","90","0.007","97.936","0.009","90","0.007","1671.4","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaqua(1,4,7,10,14-pentaoxacyclopentadecane)manganese(II) dibromide","","- C10 H24 Br2 Mn O7 -","- C10 H24 Br2 Mn O7 -","- C40 H96 Br8 Mn4 O28 -","4","0.5","NA6008","Reid, Howard O. N.; Kahwa, Ishenkumba A.; Mague, Joel T.; McPherson, Gary L.","A linear supramolecular array of {[Mn(H~2~O)~2~(15-crown-5)]Br~2~}~<i>n~</i>","Acta Crystallographica Section E","2001","57","1","m3","m4","10.1107/S1600536800018110","","","0.71073","MoKα","","0.04","0.024","","","","0.086","","","","","","1.279","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200052","10.3529","0.0001","16.1128","0.0001","15.04","0.0001","90","","107.025","0.001","90","","2398.94","0.03","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(1RS,4RS)-5,5,7,13,15,15-Hexamethyl-1,4,8,12-tetraazacyclopentadeca- 7,12-diene-N^1^,N^4^,N^8^,N^12^]nickel(II) diperchlorate","","- C17 H34 Cl2 N4 Ni O8 -","- C17 H34 Cl2 N4 Ni O8 -","- C68 H136 Cl8 N16 Ni4 O32 -","4","1","NA6009","Curtis, Neil F.; Waters, Joyce M.; Rickard, Clifton E.","[(1<i>RS</i>,4<i>RS</i>)-5,5,7,13,15,15-Hexamethyl-1,4,8,12-tetraazacyclopentadeca-7,12-diene-<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^12^]nickel(II) diperchlorate","Acta Crystallographica Section E","2001","57","1","m48","m50","10.1107/S1600536800020559","","","0.71073","MoKα","","0.051","0.042","","0.112","","0.105","","","1.044","","","1.058","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2200054","4.797","0.001","11.886","0.002","23.775","0.005","90","","90","","90","","1355.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4S,5R)-4-Hydroxy-3-iodo-5-methyltetrahydro-2-furylmethyl benzoate","","- C13 H15 I O4 -","- C13 H15 I O4 -","- C52 H60 I4 O16 -","4","1","NA6012","Bew, Sean P.; Light, Mark E.; Hursthouse, Michael B.; Knight, David W.; Middleton, Robert J.","(2<i>R</i>,3<i>S</i>,4<i>S</i>,5<i>R</i>)-4-Hydroxy-3-iodo-5-methyltetrahydro-2-furylmethyl benzoate","Acta Crystallographica Section E","2001","57","1","o58","o60","10.1107/S1600536800018614","","","0.71073","MoKα","","","0.027","","","","0.063","","","","","","1.049","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200055","21.825","0.003","12.384","0.001","8.048","0.001","90","","90","","90","","2175.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethylenediammonium phthalate","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C80 H112 N16 O32 -","8","1","NA6013","Edwards, Selvin H.; Kahwa, Ishenkumba A.; Mague, Joel T.","Ethylenediammonium phthalate","Acta Crystallographica Section E","2001","57","1","o20","o21","10.1107/S1600536800018420","","","0.71073","MoKα","","0.108","0.039","","","","0.108","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200056","11.7634","0.0008","11.025","0.001","12.0322","0.0007","90","","115.378","0.001","90","","1409.89","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethylenetriamine dihdrophthalate","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","NA6014","Edwards, Selvin H.; Kahwa, Ishenkumba A.; Mague, Joel T.","2,2'-Iminobis(ethylammonium) phthalate","Acta Crystallographica Section E","2001","57","1","o22","o23","10.1107/S1600536800018432","","","0.71073","MoKα","","0.105","0.04","","","","0.119","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200057","11.7629","0.0002","34.5731","0.0006","5.3477","0.0002","90","","90","","90","","2174.8","0.1","120","","120","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N^α^(2-nitrobenzenesulfonyl)-N^ε^-benzyloxycarbonyl-L-lysine","","- C20 H23 N3 O8 S -","- C20 H23 N3 O8 S -","- C80 H92 N12 O32 S4 -","4","1","NA6015","Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.","<i>N</i>^{ε^}-Benzyloxycarbonyl-<i>N</i>^{α^}-(2-nitrobenzenesulfonyl)-<small>L</small>-lysine","Acta Crystallographica Section E","2001","57","1","o48","o49","10.1107/S1600536800018961","","","0.71073","MoKα","","0.058","0.039","","","","0.077","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200058","7.492","0.002","7.797","0.002","19.877","0.005","90","","94.962","0.005","90","","1156.8","0.5","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methylthio-N-(2-chlorophenyl)triazine-2-amine","","- C10 H9 Cl N4 S -","- C10 H9 Cl N4 S -","- C40 H36 Cl4 N16 S4 -","4","1","NA6016","Chen, Wei-Qiang; Weng, Lin-Hong; Jin, Gui-Yu","2-(2-Chlorophenylamino)-4-methylsulfanyl-1,3,5-triazine","Acta Crystallographica Section E","2001","57","1","o91","o93","10.1107/S1600536800020237","","","0.71073","MoKα","","","0.031","","","","0.096","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200059","9.3236","0.0005","14.5789","0.0014","13.6184","0.0006","90","","95.361","0.004","90","","1843","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(nitrato)(1,4,7,10,13-pentaoxacyclopentadecane)praseodymium(III)","","- C10 H20 N3 O14 Pr -","- C10 H20 N3 O14 Pr -","- C40 H80 N12 O56 Pr4 -","4","1","NA6017","McIntosh, Nadine N.; Kahwa, Ishenkumba A.; Mague, Joel T.","Rare earth crown ether complexes: (15-crown-5)tris(nitrato)praseodymium(III)","Acta Crystallographica Section E","2001","57","1","m21","m22","10.1107/S1600536800019036","","","0.71073","MoKα","","0.045","0.027","","","","0.075","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200060","10.471","0.0004","9.37","0.0003","12.35","0.0004","90","","90","","90","","1211.7","0.07","150","","110","","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-ethoxycarbonyl- 2,2,5,5-tetramethyl-1H-2,5-dihydropyrrol-1-yloxyl","","- C11 H18 N O3 -","- C11 H18 N O3 -","- C44 H72 N4 O12 -","4","0.5","NA6018","Duskova, Jarmila; Jiri Labsky; Jindrich Hasek; Ivana Cisarova","3-Ethoxycarbonyl-2,2,5,5-tetramethyl-1<i>H</i>-2,5-dihydropyrrol-1-yloxyl","Acta Crystallographica Section E","2001","57","1","o85","o86","10.1107/S1600536800019334","","","0.7107","MoKα","","0.056","0.044","","","","0.152","","","","","","1.215","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200061","6.8351","0.0009","7.6342","0.001","21.422","0.003","90","","96.447","0.003","90","","1110.7","0.3","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-(2-phenylethenyl)-1,3,2-benzodioxaborole","","- C14 H11 B O2 -","- C14 H11 B O2 -","- C56 H44 B4 O8 -","4","1","NA6019","Clegg, William; Marder, Todd B.; Scott, Andrew J.; Wiesauer, Christian; Weissensteiner, Walter","A 2-styrylboronate ester","Acta Crystallographica Section E","2001","57","1","o63","o65","10.1107/S1600536800019097","","","0.71073","MoKα","","0.042","0.037","","","","0.095","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200062","16.5665","0.001","16.78","0.0009","25.0342","0.001","90","","90","","90","","6959.2","0.6","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","none","Tetrakis(hydroxonium) bis(tetrachlorogallate) dichloride cucurbituril decahydrate","","- C36 H68 Cl10 Ga2 N24 O26 -","- C36 H66 Cl10 Ga2 N24 O26 -","- C144 H264 Cl40 Ga8 N96 O104 -","4","","NA6021","Virovets, Alexander V.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.","Supramolecular adduct of tetrachlorogallate with cucurbituril: (H~7~O~3~)~4~[GaCl~4~]~2~Cl~2~·C~36~H~36~N~24~O~12~·2H~2~O","Acta Crystallographica Section E","2001","57","1","m33","m34","10.1107/S1600536800019498","","","0.71073","MoKα","","0.072","0.051","","","","0.183","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200063","11.464","0.003","14.827","0.002","16.444","0.002","90","","90","","90","","2795.1","0.9","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","boc-Tyr-Tic","boc-tyrosyl-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate","","- C24.825 H30.475 N2.825 O7.65 -","- C24.825 H30.475 N2.825 O7.65 -","- C99.3 H121.9 N11.3 O30.6 -","4","1","NA6023","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; George, Clifford","2-[<i>N</i>-(<i>tert</i>-Butoxycarbonyl)tyrosyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate","Acta Crystallographica Section E","2001","57","1","o87","o90","10.1107/S1600536800020109","","","1.54178","CuKα","","0.0794","0.0745","","0.2028","","0.1954","","","1.082","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200064","9.718","0.0002","10.1871","0.0002","11.8751","0.0003","95.586","0.001","92.978","0.001","99.142","0.001","1152.45","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Di(N-cyclohexyl-N-ethyldithiocarbamato)lead(II)","","- C18 H32 N2 Pb S4 -","- C18 H32 N2 Pb S4 -","- C36 H64 N4 Pb2 S8 -","2","1","NA6024","Baba, Ibrahim; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis(<i>N</i>-cyclohexyl-<i>N</i>-ethyldithiocarbamato-<i>S</i>,<i>S</i>')lead(II)","Acta Crystallographica Section E","2001","57","1","m35","m36","10.1107/S1600536800020146","","","0.71073","MoKα","","0.108","0.053","","","","0.146","","","","","","0.991","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200065","9.7249","0.0001","9.7249","0.0001","17.3867","0.0003","90","","90","","90","","1644.32","0.04","298","2","298","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Tris(dimethyltin sulfide)","","- C6 H18 S3 Sn3 -","- C6 H18 S3 Sn3 -","- C24 H72 S12 Sn12 -","4","0.5","NA6025","Farina, Yang; Baba, Ibrahim; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Tetragonal modification of 1,1,3,3,5,5-hexamethylcyclo-1,3,5-tristannathiane","Acta Crystallographica Section E","2001","57","1","m37","m38","10.1107/S1600536800020134","","","0.71073","MoKα","","0.055","0.037","","","","0.08","","","","","","0.937","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200066","13.8948","0.0004","13.8948","0.0004","9.4868","0.0003","90","","90","","120","","1586.19","0.08","298","2","298","2","","","","","","","","5","P 63","P 6c","173","","Tris(N-cyclohexyl-N-methyldithiocarbamato)antimony(III)","","- C24 H42 N3 S6 Sb -","- C24 H42 N3 S6 Sb -","- C48 H84 N6 S12 Sb2 -","2","0.333333","NA6026","Baba, Ibrahim; Ibrahim, Sukeria; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Tris(<i>N</i>-cyclohexyl-<i>N</i>-methyldithiocarbamato-<i>S</i>)antimony(III)","Acta Crystallographica Section E","2001","57","1","m39","m40","10.1107/S1600536800020122","","","0.71073","MoKα","","0.035","0.026","","","","0.054","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200067","8.9931","0.0001","12.2068","0.0001","22.6703","0.0003","90","","92.507","0.001","90","","2486.29","0.05","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Diphenylbis[N-(2-hydroxyethyl)-N-methyldithiocarbamato]tin","","- C20 H26 N2 O2 S4 Sn -","- C20 H26 N2 O2 S4 Sn -","- C80 H104 N8 O8 S16 Sn4 -","4","1","NA6027","Farina, Yang; Baba, Ibrahim; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-methyldithiocarbamato-<i>S</i>,<i>S</i>']diphenyltin","Acta Crystallographica Section E","2001","57","1","m41","m42","10.1107/S1600536800020316","","","0.71073","MoKα","","0.089","0.054","","","","0.146","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200068","9.0118","0.0002","12.4051","0.0001","12.6024","0.0002","86.889","0.001","69.575","0.001","88.293","0.001","1318.24","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis[N,N-bis(2-hydroxyethyl)dithiocarbamato-S,S']diphenyltin(IV)","","- C22 H30 N2 O4 S4 Sn -","- C22 H30 N2 O4 S4 Sn -","- C44 H60 N4 O8 S8 Sn2 -","2","1","NA6029","Farina, Yang; Baba, Ibrahim; Othman, A. Hamid; Ibrahim Abdul Razak; Fun, Hoong-Kun; Ng, Seik Weng","Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-<i>S</i>,<i>S</i>']diphenyltin(IV)","Acta Crystallographica Section E","2001","57","1","m46","m47","10.1107/S1600536800020407","","","0.71073","MoKα","","0.058","0.048","","","","0.112","","","","","","0.98","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200069","10.8646","0.0001","15.0517","0.0001","11.2934","0.0001","90","","101.419","0.001","90","","1810.26","0.03","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-N-ethyl-N-isopropyldithiocarbamato-S:S')- bis[(N-ethyl-N-isopropyldithiocarbamato-S,S')zinc(II)]","","- C24 H48 N4 S8 Zn2 -","- C24 H48 N4 S8 Zn2 -","- C48 H96 N8 S16 Zn4 -","2","0.5","NA6030","Baba, Ibrahim; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis(μ-<i>N</i>-ethyl-<i>N</i>-isopropyldithiocarbamato-<i>S</i>:<i>S</i>')bis[(<i>N</i>-ethyl-<i>N</i>-isopropyldithiocarbamato-<i>S</i>,<i>S</i>')zinc(II)]","Acta Crystallographica Section E","2001","57","1","m51","m52","10.1107/S1600536800020390","","","0.71073","MoKα","","0.045","0.038","","","","0.094","","","","","","0.972","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200070","10.77","0.0011","11.1547","0.0011","15.941","0.003","91.088","0.011","102.471","0.011","116.993","0.007","1651.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42.5 H36 O2 P2 -","- C42.5 H35.5 O2 P2 -","- C85 H71 O4 P4 -","2","1","NA6032","Ellis, Dianne D.; Spek, Anthony L.","[4-(Diphenylphosphino)-9,9-dimethylxanthen-5-yl]diphenylphosphine oxide toluene hemisolvate","Acta Crystallographica Section E","2001","57","1","o94","o95","10.1107/S1600536800020419","","","0.71073","MoKα","","0.094","0.058","","","","0.168","","","","","","1.012","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200071","7.5746","0.0015","11.878","0.002","14.519","0.003","90","","100.47","0.03","90","","1284.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-5-(4-methoxybenzyl)-4-methyl-1,3-thiazolium chloride","","- C12 H15 Cl N2 O S -","- C12 H15 Cl N2 O S -","- C48 H60 Cl4 N8 O4 S4 -","4","1","OB6000","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-5-(4-methoxybenzyl)-4-methyl-1,3-thiazolium chloride","Acta Crystallographica Section E","2001","57","1","o24","o25","10.1107/S1600536800017876","","","0.71073","MoKα","","0.071","0.05","","","","0.136","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200072","8.7937","0.0018","8.3091","0.0017","21.148","0.004","90","","95.73","0.03","90","","1537.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4,6-bis(phenylthio)pyrimidine","","- C16 H13 N3 S2 -","- C16 H13 N3 S2 -","- C64 H52 N12 S8 -","4","1","OB6001","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-4,6-bis(phenylthio)pyrimidine","Acta Crystallographica Section E","2001","57","1","o26","o27","10.1107/S1600536800017888","","","0.71073","MoKα","","0.077","0.046","","","","0.117","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200073","19.515","0.001","23.667","0.002","6.541","0.002","90","","90","","90","","3021","1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Br O7 -","- C34 H33 Br O7 -","- C136 H132 Br4 O28 -","4","1","OB6002","Timothy J. Brenstrum; Margaret A. Brimble; Peter Turner","<i>endo</i>-(1'<i>R</i>,2'<i>R</i>,5'<i>S</i>,7'<i>R</i>,9'<i>S</i>)-2-(9'-Benzyloxy-2'-phenyl-3',6'-dioxabicyclo[3.2.2]nonan-7'-yl)-7-bromo-5,8-dimethoxynaphthalen-1-yl acetate","Acta Crystallographica Section E","2001","57","1","o28","o29","10.1107/S1600536800018092","","","1.54178","CuKα","","0.0703","0.0356","","","","0.1139","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200074","6.8206","0.0007","23.154","0.003","8.7018","0.0009","90","","105.38","0.002","90","","1325","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 P2 Se2 -","- C28 H28 P2 Se2 -","- C56 H56 P4 Se4 -","2","0.5","OB6003","Hundal, Rajbir; Lobana, Tarlok S.; Turner, Peter","1,4-Butylenebis(diphenylphosphine selenide)","Acta Crystallographica Section E","2001","57","1","o30","o31","10.1107/S1600536800018754","","","0.71073","MoKα","","0.031","0.026","","","","0.075","","","","","","1.018","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200075","10.222","0.001","12.594","0.002","17.301","0.003","79.05","0.011","85.982","0.014","74.883","0.009","2110.5","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Tris(1,2-dimethoxyethane-O,O')sodium pentaphenylcyclopentadienide","","- C47 H55 Na O6 -","- C47 H55 Na O6 -","- C94 H110 Na2 O12 -","2","1","OB6005","Holl, Sven; Bock, Hans; Gharagozloo-Hubmann, Katayoun","Tris(1,2-dimethoxyethane-<i>O</i>,<i>O</i>')sodium pentaphenylcyclopentadienide","Acta Crystallographica Section E","2001","57","1","m31","m32","10.1107/S1600536800019619","","","0.71073","MoKα","","0.062","0.051","","","","0.152","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200076","6.2862","0.0003","6.8598","0.0002","9.2394","0.0004","96.511","0.003","104.929","0.002","113.692","0.003","341.77","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","trans-Bis(pyridine-4-carboxylate)tetraaquonickel(II)","trans-Bis(pyridine-4-carboxylate)tetraaquonickel(II)","","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","1","0.5","OB6007","Batten, Stuart R.; Harris, Alexander R.","<i>trans</i>-Tetraaquabis(pyridine-4-carboxylate-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2001","57","1","m7","m8","10.1107/S1600536800018730","","","0.71073","MoKα","","0.028","0.025","","","","0.058","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200077","14.0549","0.0007","6.817","0.0002","8.4359","0.0004","90","","118.137","0.002","90","","712.74","0.05","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","trans-Bis(pyridine-3-carboxylate)tetraaquonickel(II)","trans-Bis(pyridine-3-carboxylate)tetraaquonickel(II)","","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","- C24 H32 N4 Ni2 O16 -","2","0.25","OB6008","Batten, Stuart R.; Harris, Alexander R.","<i>trans</i>-Tetraaquabis(pyridine-3-carboxylate-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2001","57","1","m9","m11","10.1107/S1600536800018742","","","0.71073","MoKα","","0.04","0.032","","","","0.058","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200078","9.416","0.003","12.955","0.004","19.748","0.006","90","","103.792","0.003","90","","2339.5","1.3","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[bis(2-pyridyl)amine-N,N']copper(II) diperchlorate","","- C20 H18 Cl2 Cu N6 O8 -","- C20 H18 Cl2 Cu N6 O8 -","- C80 H72 Cl8 Cu4 N24 O32 -","4","0.5","OB6011","Du, Miao; Bu, Xian-He; Weng, Lin-Hong; Leng, Xue-Bing; Guo, Ya-Mei","Redetermination of [bis(2-pyridyl)amine-<i>N</i>,<i>N</i>']copper(II) diperchlorate","Acta Crystallographica Section E","2001","57","1","m25","m27","10.1107/S1600536800019103","","","0.71073","MoKα","","","0.043","","","","0.108","","","","","","1.04","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200079","15.559","0.003","9.3139","0.0019","16.493","0.003","90","","102.08","0.03","90","","2337.2","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-4-chloro-6-(4-carbamoylpyperidinyl)pyrimidine hemihydrate","","- C10 H15 Cl N5 O1.5 -","- C10 H15 Cl N5 O1.5 -","- C80 H120 Cl8 N40 O12 -","8","1","OB6014","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-4-chloro-6-(4-carbamoylpiperidin-1-yl)pyrimidine hemihydrate","Acta Crystallographica Section E","2001","57","1","o50","o51","10.1107/S1600536800019589","","","0.71073","MoKα","","0.057","0.041","","","","0.116","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200080","10.148","0.002","14.251","0.003","18.103","0.004","90","","90","","90","","2618","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-1-(2-Thienyl)ethanone 8-quinolylhydrozone","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C120 H104 N24 S8 -","8","1","OB6015","Lynch, Daniel E.; McClenaghan, Ian","(<i>E</i>)-1-(2-Thienyl)ethanone 8-quinolylhydrozone","Acta Crystallographica Section E","2001","57","1","o52","o53","10.1107/S1600536800019607","","","0.71073","MoKα","","0.15","0.061","","","","0.17","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200081","12.721","0.003","7.8961","0.0016","16.617","0.003","90","","90","","90","","1669.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Chloro-4-methylquinoline","","- C10 H8 Cl N -","- C10 H8 Cl N -","- C80 H64 Cl8 N8 -","8","1","OB6016","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-4-methylquinoline","Acta Crystallographica Section E","2001","57","1","o54","o55","10.1107/S1600536800019590","","","0.71073","MoKα","","0.06","0.043","","","","0.115","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200082","19.3539","0.0008","6.8609","0.0003","19.3579","0.0008","90","","112.325","0.002","90","","2377.77","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Pyridyl)pyrrolo[3,2-h]quinoline","","- C32 H22 N6 -","- C32 H22 N6 -","- C128 H88 N24 -","4","1","OB6017","Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E.","2-(4-Pyridyl)pyrrolo[3,2-<i>h</i>]quinoline","Acta Crystallographica Section E","2001","57","1","o56","o57","10.1107/S1600536800019620","","","0.71073","MoKα","","0.07","0.044","","","","0.109","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200083","33.958","0.005","22.88","0.003","11.735","0.001","90","","90","","90","","9118","2","293","2","293","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H18 Cr2 N4 Ni O8 -","- C20 H18 Cr2 N4 Ni O8 -","- C320 H288 Cr32 N64 Ni16 O128 -","16","1","YA6000","Fernández-González, Nélida; González-Silgo, Cristina; González-Platas, Javier; Gili, Pedro; Martín-Zarza, Pedro","<i>cis</i>-Aquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')[dichromato(2‒)-<i>O</i>^1^]nickel(II)","Acta Crystallographica Section E","2001","57","1","m43","m45","10.1107/S1600536800020389","","","0.71073","MoKα","","0.046","0.029","","0.075","","0.075","","","1.08","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200084","3.6271","0.0003","3.6271","0.0003","18.972","0.002","90","","90","","120","","216.15","0.03","298","2","298","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ca2 N -","- Ca2 N -","- Ca6 N3 -","3","0.0833333","BR6000","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.","Calcium nitride (Ca~2~N), a redetermination","Acta Crystallographica Section E","2001","57","2","i6","i7","10.1107/S1600536801000472","","","0.71073","MoKα","","0.018","0.017","","","","0.038","","","","","","1.28","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200085","7.056","0.001","16.376","0.003","5.585","0.001","90","","90","","90","","645.34","0.19","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Dieuropium(III) silicodimonophosphatediphosphate","Dieuropium(III) silicodimonophosphatediphosphate","","- Eu2 O15 P4 Si -","- Eu2 O15 P4 Si -","- Eu4 O30 P8 Si2 -","2","0.5","BR6001","Bennazha, Jamal; Boukhari, Ali; Holt, Elizabeth M.","Dieuropium(III) silicodimonophosphatediphosphate","Acta Crystallographica Section E","2001","57","2","i12","i14","10.1107/S1600536801001519","","","0.71073","MoKα","","0.026","0.025","","","","0.064","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200086","4.8982","0.001","4.8982","0.001","9.014","0.003","90","","90","","120","","187.29","0.08","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Li Sb -","- Ba Li Sb -","- Ba2 Li2 Sb2 -","2","0.0833333","BR6002","Monconduit, Laure; Belin, Claude","A new ternary antimonide phase, LiBaSb","Acta Crystallographica Section E","2001","57","3","i17","i18","10.1107/S160053680100201X","","","0.71069","MoKα","","0.0235","0.0219","","","","0.0546","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2200087","5.2605","0.0004","8.9046","0.0006","9.7244","0.0007","75.685","0.001","77.487","0.002","73.489","0.001","417.89","0.05","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- H O8 P2 Rb Zn2 -","- H O8 P2 Rb Zn2 -","- H2 O16 P4 Rb2 Zn4 -","2","1","BR6003","Yule, Lisa J.; Harrison, William T. A.","Rubidium zinc phosphate, RbZn~2~(PO~4~)(HPO~4~)","Acta Crystallographica Section E","2001","57","2","i15","i16","10.1107/S1600536801001386","","","0.71073","MoKα","","","0.0537","","","","0.0626","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200088","6.7777","0.0002","7.0282","0.0001","8.097","0.0002","67.906","0.001","84.812","0.001","84.236","0.001","354.991","0.015","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Calcium hydrogenphosphite monohydrate","","","- Ca H6 O7 P2 -","- Ca H6 O7 P2 -","- Ca2 H12 O14 P4 -","2","1","BR6004","Mahmoudkhani, Amir H.; Langer, Vratislav","Layered calcium hydrogenphosphite monohydrate at 173K","Acta Crystallographica Section E","2001","57","3","i19","i21","10.1107/S1600536801002665","","","0.71073","MoKα","","0.0308","0.0273","","","","0.0737","","","","","","1.05","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200089","6.0283","0.0004","8.7916","0.0006","9.1191","0.0006","69.486","0.001","81.508","0.001","83.017","0.001","446.41","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tin(II)oxalate tetrasodium hexafluorate","","- C6 F6 Na4 O12 Sn4 -","- C6 F6 Na4 O12 Sn4 -","- C6 F6 Na4 O12 Sn4 -","1","0.5","BR6005","Salami, Tolulope O.; Zavalij, Peter Y.; Oliver, Scott R. J.","BING-1: a tin‒oxalate‒sodium‒fluoride framework, Na~4~Sn~4~(C~2~O~4~)~3~F~6~","Acta Crystallographica Section E","2001","57","3","m111","m113","10.1107/S1600536801002409","","","0.71073","MoKα","","0.0395","0.0335","","","","0.0869","","","","","","0.986","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200090","13.9969","0.0003","6.4803","0.0002","11.0211","0.0002","90","","105.596","0.0011","90","","962.85","0.04","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","melanterite","","","- Fe H14 O11 S -","- Fe H14 O11 S -","- Fe4 H56 O44 S4 -","4","1","","Fronczek, Frank R.; Collins, Sibrina N.; Chan, Julia Y.","Refinement of ferrous sulfate heptahydrate (melanterite) with low-temperature CCD data","Acta Crystallographica, Section E","2001","57","","i26","i27","10.1107/S1600536801004202","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200091","4.8269","0.001","4.8269","0.001","4.866","0.001","90","","90","","120","","98.18","0.04","293","2","293","2","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- As2 Cd O6 -","- As2 Cd O6 -","- As2 Cd O6 -","1","0.0833333","","Matthias Weil","Cadmium(II) metaarsenate(V), CdAs~2~O~6~","Acta Crystallographica, Section E","2001","57","","i22","i23","10.1107/S1600536801003865","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200092","6.4818","0.0003","8.7975","0.0005","7.6367","0.0004","90","","98.753","0.001","90","","430.4","0.04","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H4 Mg O5 Se -","- H4 Mg O5 Se -","- H16 Mg4 O20 Se4 -","4","1","","Johnston, Magnus G.; Harrison, William T. A.","Magnesium selenite dihydrate, MgSeO~3~.2H~2~O","Acta Crystallographica, Section E","2001","57","","i24","i25","10.1107/S1600536801004135","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200093","6.9446","0.0014","9.0365","0.0014","4.853","0.0008","90","","101.77","0.01","90","","298.15","0.09","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Cadmium(II) diarsenate(V)","","","- As2 Cd2 O7 -","- As2 Cd2 O7 -","- As4 Cd4 O14 -","2","0.25","","Weil, Matthias","Cadmium(II) diarsenate(V), Cd~2~As~2~O~7~","Acta Crystallographica, Section E","2001","57","","i28","i29","10.1107/S1600536801004342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200094","10.9197","0.0007","4.9876","0.0006","9.964","0.001","90","","92.273","0.006","90","","542.24","0.09","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","sebacic acid","octane-1,8-dicarboxylic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","BT6002","Bond, Andrew D.; Edwards, Marc R.; Jones, William","Sebacic acid","Acta Crystallographica Section E","2001","57","2","o141","o142","10.1107/S1600536801000794","","","0.71069","MoKα","","0.09","0.051","","","","0.139","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200095","22.622","0.002","4.7348","0.0002","9.6864","0.0007","90","","110.559","0.003","90","","971.44","0.12","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","azelaic acid","heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","0.5","BT6003","Bond, Andrew D.; Edwards, Marc R.; Jones, William","Azelaic acid","Acta Crystallographica Section E","2001","57","2","o143","o144","10.1107/S1600536801000800","","","0.71073","MoKα","","0.047","0.037","","","","0.096","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200096","19.141","0.004","3.8417","0.0004","11.564","0.002","90","","90","","90","","850.3","0.2","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","4,7-phenanthroline","4,7-phenanthroline","","- C12 H8 N2 -","- C12 H8 N2 -","- C48 H32 N8 -","4","1","BT6004","Bond, Andrew D.; Shan, Ning; Jones, William","4,7-Phenanthroline","Acta Crystallographica Section E","2001","57","2","o145","o146","10.1107/S1600536801000812","","","0.71073","MoKα","","0.093","0.063","","","","0.161","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200097","11.031","0.005","16.639","0.005","6.813","0.005","95.381","0.005","94.53","0.005","104.686","0.005","1197.4","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C52 H66 N2 O6 -","2","1","BT6005","Kubo, Kanji; Mori, Akira","4-Cyanophenyl 4-<i>n</i>-dodecanyloxybenzoate","Acta Crystallographica Section E","2001","57","2","o113","o115","10.1107/S1600536801000903","","","0.71073","MoKα","","0.257","0.059","","","","0.193","","","","","","0.911","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200098","8.345","0.0003","8.5536","0.0003","12.6875","0.0005","90","","105.482","0.003","90","","872.77","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9α-chloro-3β,11β-dihydroxy-5α-androstan-17-one","","- C19 H29 Cl O3 -","- C19 H29 Cl O3 -","- C38 H58 Cl2 O6 -","2","1","BT6006","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","9α-Chloro-3β,11β-dihydroxy-5α-androstan-17-one","Acta Crystallographica Section E","2001","57","2","o166","o167","10.1107/S1600536801001490","","","1.5418","CuKα","","0.0335","0.0332","","","","0.099","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200099","10.193","0.002","11.159","0.002","14.253","0.003","105.14","0.03","103.09","0.03","92.3","0.03","1515.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Co N3 S6 -","- C27 H30 Co N3 S6 -","- C54 H60 Co2 N6 S12 -","2","1","BT6007","Ondrušová, Darina; Koman, Marian; Jóna, Eugen; Pajtášová, Maria; Glowiak, Tadeus","Tris(<i>N</i>-ethyl-<i>N</i>-phenyldithiocarbamato-<i>S</i>,<i>S</i>')cobalt(III)","Acta Crystallographica Section E","2001","57","4","m172","m173","10.1107/S1600536801005128","","","0.71073","MoKα","","0.1805","0.0579","","","","0.1849","","","","","","0.856","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200100","5.3169","0.0003","6.1524","0.0003","15.9722","0.0008","90","","92.5","0.01","90","","521.98","0.05","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(methylperthiocarboxylato)nickel(II)","","","- C4 H6 Ni S6 -","- C4 H6 Ni S6 -","- C8 H12 Ni2 S12 -","2","0.5","BT6010","Mahmoudkhani, Amir H.; Langer, Vratislav","On the reaction of nickel(II) ions with thiolacetic acid","Acta Crystallographica Section E","2001","57","3","m92","m94","10.1107/S1600536801001994","","","0.71073","MoKα","","0.0394","0.0339","","","","0.0872","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200101","7.3714","0.0004","12.9097","0.0008","15.7403","0.0009","90","","97.732","0.001","90","","1484.27","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine-N,O,O')nickel(II) bis(saccharinate)","","- C26 H38 N4 Ni O12 S2 -","- C26 H38 N4 Ni O12 S2 -","- C52 H76 N8 Ni2 O24 S4 -","2","0.5","BT6011","Topcu, Yildiray; Andac, Omer; Yilmaz, Veysel T.; Harrison, William T. A.","Bis(triethanolamine-<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) bis(saccharinate)","Acta Crystallographica Section E","2001","57","2","m82","m84","10.1107/S1600536801001878","","","0.71069","MoKα","","0.0763","0.0483","","","","0.1427","","","","","","0.99","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200102","13.189","0.003","8.577","0.002","20.195","0.004","90","","90","","90","","2284.5","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Chloro-2-methylthio-6-(piperidin-1-yl)pyrimidine","","- C10 H14 Cl N3 S -","- C10 H14 Cl N3 S -","- C80 H112 Cl8 N24 S8 -","8","1","BT6012","Lynch, Daniel E.; McClenaghan, Ian","4-Chloro-2-methylthio-6-(1-piperidyl)pyrimidine","Acta Crystallographica Section E","2001","57","3","o200","o201","10.1107/S1600536801001982","","","0.71073","MoKα","","0.0525","0.0412","","","","0.1165","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200103","7.982","0.002","10.492","0.002","19.95","0.003","90","","106.578","0.019","90","","1601.3","0.6","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Dimethylamino-N,N-dimethyl-3-(4-pyridyl)-2,4-pentadieniminium tetrafluoroborate","","- C14 H20 B F4 N3 -","- C14 H20 B F4 N3 -","- C56 H80 B4 F16 N12 -","4","1","BT6013","Ferguson, George; Jennings, Michael C.; McAlees, Alan J.; McCrindle, Robert","5-Dimethylamino-<i>N</i>,<i>N</i>-dimethyl-3-(4-pyridyl)-2,4-pentadieniminium tetrafluoroborate","Acta Crystallographica Section E","2001","57","3","o202","o204","10.1107/S1600536801002008","","","0.71073","MoKα","","0.0927","0.0565","","","","0.1949","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200104","15.117","0.0013","11.6285","0.0006","19.9737","0.0016","90","","101.624","0.01","90","","3439.1","0.5","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 Cl12 N6 -","- C28 H16 Cl12 N6 -","- C112 H64 Cl48 N24 -","4","1","BT6014","Alfonso, Montserrat; Stoeckli-Evans, Helen","1,6,7,12,13,18-Hexaazatrinaphthylene tetrachloroform solvate","Acta Crystallographica Section E","2001","57","3","o242","o244","10.1107/S1600536801002938","","","0.71073","MoKα","","0.1813","0.0363","","","","0.0638","","","","","","0.569","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200105","8.985","0.0013","8.985","0.0013","12.265","0.003","90","","90","","90","","990.2","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H8 I2 Pt S2 -","- C4 H8 I2 Pt S2 -","- C16 H32 I8 Pt4 S8 -","4","0.5","BT6015","Johansson, Maria H.; Engelbrecht, Hendrik P.","<i>cis</i>-(1,4-Dithiane-<i>S</i>,<i>S</i>')diiodoplatinum(II)","Acta Crystallographica Section E","2001","57","3","m114","m116","10.1107/S1600536801002951","","","0.71073","MoKα","","0.037","0.026","","","","0.049","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200106","7.467","0.002","16.217","0.003","19.318","0.004","90","","90","","90","","2339.3","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,6-Dichloro-2-methylthio-5-phenylpyrimidine","","- C11 H8 Cl2 N2 S -","- C11 H8 Cl2 N2 S -","- C88 H64 Cl16 N16 S8 -","8","2","BT6016","Lynch, Daniel E.; McClenaghan, Ian","4,6-Dichloro-2-methylthio-5-phenylpyrimidine","Acta Crystallographica Section E","2001","57","3","o264","o265","10.1107/S1600536801003154","","","0.71073","MoKα","","0.0405","0.0338","","","","0.0865","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200107","18.3035","0.0001","8.5629","0.0001","31.2876","0.0002","90","","94.7702","0.0004","90","","4886.75","0.07","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Ir2 O10 W2 -","- C22 H14 Ir2 O10 W2 -","- C176 H112 Ir16 O80 W16 -","8","2","BT6017","Lucas, Nigel T.; Notaras, Eleni G. A.; Humphrey, Mark G.","W~2~Ir~2~(CO)~10~(η^5^-C~5~H~4~Me)~2~","Acta Crystallographica Section E","2001","57","4","m132","m133","10.1107/S1600536801003750","","","0.7107","MoKα","","0.0586","0.0423","","0.0758","","0.0537","","","2.4","","","1.812","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200108","7.566","0.016","7.39","0.02","14.04","0.03","90","","90","","90","","785","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H4 Mo2 N2 O6 -","- C4 H4 Mo2 N2 O6 -","- C16 H16 Mo8 N8 O24 -","4","0.5","BT6019","Liang, Yucang; Hong, Maochun; Cao, Rong; Sun, Daofeng; Weng, Jiabao","Polymeric tri-μ-oxo(pyrazine)molybdenum(VI)","Acta Crystallographica Section E","2001","57","4","m159","m161","10.1107/S160053680100441X","","","0.71073","MoKα","","0.0391","0.0345","","","","0.0856","","","","","","1.238","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2200109","16.8073","0.0001","9.5849","0.0001","19.0626","0.0002","90","","90.8932","0.0006","90","","3070.54","0.05","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Ir2 O8 W2 -","- C34 H24 Ir2 O8 W2 -","- C136 H96 Ir8 O32 W8 -","4","1","BT6020","Lucas, Nigel T.; Notaras, Eleni G. A.; Humphrey, Mark G.","W~2~Ir~2~(μ~4~-η^2^-C~2~Ph~2~)(μ-CO)~4~(CO)~4~(η-C~5~H~4~Me)~2~","Acta Crystallographica Section E","2001","57","4","m143","m144","10.1107/S1600536801004123","","","0.7107","MoKα","","0.0344","0.0263","","0.0328","","0.0295","","","0.822","","","0.817","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200110","7.0512","0.0006","7.3853","0.0006","18.4652","0.0014","90.022","0.001","96.985","0.001","115.63","0.001","859.02","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetra(2,4-pyridinedicarboxylate)terazinc(II) octa-hydtate","","- C28 H28 N4 O24 Zn4 -","- C28 H28 N4 O24 Zn4 -","- C28 H28 N4 O24 Zn4 -","1","0.5","BT6022","Liang, Yucang; Hong, Maochun; Cao, Rong","Tetrakis(2,5-pyridinedicarboxylato)tetrazinc(II) octahydrate","Acta Crystallographica Section E","2001","57","4","m145","m147","10.1107/S1600536801004184","","","0.71073","MoKα","","0.0532","0.0408","","","0.1024","0.121","","","1.069","1.069","1.069","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2200111","13.311","0.001","13.5395","0.0011","8.8727","0.0007","90","","107.801","0.002","90","","1522.5","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium pentaiodide","","- C4 H12 I5 N -","- C4 H12 I5 N -","- C16 H48 I20 N4 -","4","0.5","BT6024","Filguieras, Carlos A. L.; Horn Jr, Adolfo; Skakle, Janet M. S.; Wardell, James L.","Tetramethylammonium pentaiodide","Acta Crystallographica Section E","2001","57","4","o338","o340","10.1107/S1600536801004536","","","0.71073","MoKα","","0.0679","0.0515","","","","0.1428","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200112","7.122","0.002","8.809","0.002","15.178","0.003","95.98","0.02","99.34","0.02","107.43","0.02","884.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholinium chloride monohydrate","","- C15 H21 Cl2 N3 O4 -","- C15 H21 Cl2 N3 O4 -","- C30 H42 Cl4 N6 O8 -","2","1","BT6025","Bartczak, Tadeusz J.; Kruszynski, Rafal; Chilmonczyk, Zdzislaw; Cybulski, Jacek","4-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate","Acta Crystallographica Section E","2001","57","4","o341","o343","10.1107/S1600536801004548","","","0.71073","MoKα","","0.049","0.043","","","","0.1202","","","","","","1.042","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200113","7.8975","0.0004","17.6323","0.0008","15.1057","0.0007","90","","96.36","0.001","90","","2090.54","0.17","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(2,2'-bipyridine-N,N')cobalt(II)]- μ-4,4'-oxydibenzoato-O,O':O'',O''']","","- C24 H16 Co N2 O5 -","- C24 H16 Co N2 O5 -","- C96 H64 Co4 N8 O20 -","4","1","BT6026","Skakle, Janet M. S.; Foreman, Mark R. St J.; Plater, M. John","<i>catena</i>-Poly[[(2,2'-bipyridine-<i>N</i>,<i>N</i>')cobalt(II)]-μ-4,4'-oxydibenzoato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2001","57","4","m169","m171","10.1107/S1600536801004949","","","0.71073","MoKα","","0.081","0.0416","","","","0.135","","","","","","0.936","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200114","6.8004","0.0003","13.8358","0.0005","10.8658","0.0004","90","","97.896","0.001","90","","1012.66","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H13 Br K N O7 -","- C H13 Br K N O7 -","- C4 H52 Br4 K4 N4 O28 -","4","1","CF6016","Willett, Roger D.","Tetraaqua(nitromethane)potassium bromide monohydrate","Acta Crystallographica Section E","2001","57","2","m53","m54","10.1107/S1600536800020791","","","0.71073","MoKα","","0.04","0.037","","","","0.092","","","","","","1.1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200115","8.7475","0.0002","15.553","0.001","20.359","0.001","90","","90","","90","","2769.8","0.2","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O -","- C32 H50 O -","- C128 H200 O4 -","4","1","CF6019","Auhmani, A.; Kossareva, E.; Eljamili, H.; Reglier, M.; Pierrot, M.; Benharref, A.","(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>)-3,7,7,10-Tétraméthyl-9-[(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>)-3,7,7-triméthyl-10-méthylènetricyclo[6,4,0,0^1,3^]dodéc-9-yloxy]tricyclo[6,4,0,0^1,3^]dodéc-10-ène","Acta Crystallographica Section E","2001","57","2","o102","o103","10.1107/S1600536800020547","","","0.71073","MoKα","","0.098","0.086","","0.06","","0.051","","","2.12","","","1.87","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200116","20.038","0.004","11.358","0.002","12.043","0.002","90","","92.03","0.03","90","","2739.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-2-methylthio-4-[(2-phenylethyl)amino]pyrimidine","","- C26 H28 Cl2 N6 S2 -","- C26 H28 Cl2 N6 S2 -","- C104 H112 Cl8 N24 S8 -","4","1","CF6020","Lynch, Daniel E.; McClenaghan, Ian","6-Chloro-2-methylthio-4-[(2-phenylethyl)amino]pyrimidine","Acta Crystallographica Section E","2001","57","3","o198","o199","10.1107/S1600536801001945","","","0.71073","MoKα","","0.0822","0.0477","","","","0.1232","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200117","5.4856","0.0004","9.906","0.001","12.227","0.001","73.429","0.004","77.443","0.007","78.576","0.007","614.98","0.09","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C24 H32 N4 O6 -","2","1","CF6029","Elmeslouhi, H.; Essassi, E. M.; Pierrot, M.","2-Carbamoyl-6-éthyl-3-phényl-2,3,5,6-tétrahydro-1,4,2-dioxazine","Acta Crystallographica Section E","2001","57","3","o205","o206","10.1107/S1600536801002203","","","0.71073","MoKα","","0.066","0.052","","0.064","","0.064","","","1.04","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200118","7.224","0.002","15.521","0.002","20.404","0.001","90","","90","","90","","2287.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C100 H112 O32 -","4","1","CF6030","Ajees, A. Abdul; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R6","Acta Crystallographica Section E","2001","57","2","o116","o117","10.1107/S1600536801000733","","","1.5418","CuKα","","0.038","0.033","","","","0.092","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200119","9.3","0.0005","15.2215","0.0005","9.7195","0.0005","90","","117.883","0.002","90","","1216.16","0.1","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","CF6031","Mustaphi, N. E.; Ferfra, S.; Essassi, E. M.; Pierrot, M.","1,4-Diallylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2001","57","2","o176","o177","10.1107/S1600536801001076","","","0.71073","MoKα","","0.064","0.049","","0.064","","0.064","","","1.166","","","1.166","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200120","8.8987","0.0013","14.305","0.0016","10.1286","0.0011","90","","97.096","0.009","90","","1279.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato)[2,2-(dimethylcarbamoyl)ethyl] [(R)-1-phenylethylamine]cobalt(III)","","- C21 H35 Co N6 O5 -","- C21 H35 Co N6 O5 -","- C42 H70 Co2 N12 O10 -","2","1","CF6035","Ohgo, Yoshiki; Ohashi, Yuji; Shida, Mitsuru; Hagiwara, Mieko; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki","[2-(<i>N,N</i>-Dimethylcarbamoyl)ethyl]bis(dimethylglyoximato)[(<i>R</i>)-1-phenylethylamine]cobalt(III)","Acta Crystallographica Section E","2001","57","2","m62","m64","10.1107/S1600536801001088","","","0.71073","MoKα","","0.061","0.045","","","","0.122","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200121","11.505","0.003","8.484","0.002","14.616","0.004","90","","99.42","0.03","90","","1407.4","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","fern-9(11)-en-6α-ol‒methanol (1/1)","","- C31 H54 O2 -","- C31 H54 O2 -","- C62 H108 O4 -","2","1","CF6036","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Venkateswarlu, Yenamandra; Reddy, V. L. Niranjan","Fern-9(11)-en-6α-ol‒methanol (1/1)","Acta Crystallographica Section E","2001","57","3","o228","o230","10.1107/S1600536801002215","","","1.54178","CuKα","","0.0552","0.0519","","","","0.1578","","","","","","1.123","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200122","17.174","0.005","7.38","0.005","11.393","0.005","90","","100.647","0.005","90","","1419.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C64 H56 N8 S4 -","4","1","CF6037","Mori, Akira; Kubo, Kanji; Yin, Bing Zhu; Takeshita, Hitoshi","2-(7-Isopropyl-2-methylcyclohepta[<i>b</i>]thiophen-8-ylidene)propanedinitrile","Acta Crystallographica Section E","2001","57","2","o118","o119","10.1107/S1600536801001064","","","0.71073","MoKα","","0.172","0.052","","","","0.143","","","","","","0.994","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200123","18.238","0.002","21.984","0.003","10.586","0.001","90","","94.051","0.006","90","","4233.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O4 S2 Sn -","- C18 H24 O4 S2 Sn -","- C144 H192 O32 S16 Sn8 -","8","2","CF6038","Yahyi, Abderrahmane; Et-touhami, Abdelkader; Zidane, Ismail; Benchat, Nour-eddine; El-Bali, Brahim; Bolte, Michael","Di-<i>n</i>-butylbis(thiophene-2-carboxylato-<i>O</i>,<i>O</i>')tin(IV)","Acta Crystallographica Section E","2001","57","2","m65","m66","10.1107/S160053680100126X","","","0.71073","MoKα","","0.031","0.024","","","","0.061","","","","","","1.132","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200124","6.705","0.001","9.14","0.001","11.647","0.001","69.71","0.01","88.94","0.01","69.29","0.01","621.79","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- Eu H12 N3 O15 -","- Eu H12 N3 O15 -","- Eu2 H24 N6 O30 -","2","1","CF6039","Stumpf, Thorsten; Bolte, Michael","Tetraaquatrinitratoeuropium(III) dihydrate","Acta Crystallographica Section E","2001","57","2","i10","i11","10.1107/S1600536801001271","","","0.71073","MoKα","","0.018","0.016","","","","0.039","","","","","","1.125","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200125","3.9158","0.0008","10.021","0.002","10.698","0.002","113.92","0.03","95.16","0.03","96.06","0.03","377.5","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4,4'-Bipyridylium(di-μ-chloro-tetrachloro-di-copper)","","","- C10 H10 Cl6 Cu2 N2 -","- C10 H10 Cl6 Cu2 N2 -","- C10 H10 Cl6 Cu2 N2 -","1","0.5","CF6040","Näther, Christian; Jeß, Inke; Bolte, Michael","4,4'-Bipyridylium di-μ-chlorotetrachlorodicuprate(II): a redetermination","Acta Crystallographica Section E","2001","57","2","m78","m79","10.1107/S1600536801001283","","","0.71073","MoKα","","0.05","0.028","","","","0.068","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200126","7.47","0.004","11.11","0.003","16.242","0.003","90","","90","","90","","1348","0.8","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(dimethylamino)-1-methyl-trimethinium hexafluorophosphate or N-[3-(Dimethylamino)-1-methyl-2-propenylidene]-N-methylmethanaminium hexafluorophosphate","","- C8 H17 F6 N2 P -","- C8 H17 F6 N2 P -","- C32 H68 F24 N8 P4 -","4","1","CF6041","Ferguson, George; McAlees, Alan J.; McCrindle, Robert","1,3-Bis(dimethylamino)-1-methyltrimethinium hexafluorophosphate","Acta Crystallographica Section E","2001","57","2","o168","o169","10.1107/S1600536801001507","","","0.71073","MoKα","","0.082","0.056","","","","0.185","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200127","24.493","0.004","6.365","0.002","12.859","0.008","90","","117.24","0.003","90","","1782.4","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-chloro-2-methylquinolin-4-one","","- C10 H8 Cl N O -","- C10 H8 Cl N O -","- C80 H64 Cl8 N8 O8 -","8","1","CF6042","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Jaisankar, P.; Varghese, B.","3-Chloro-2-methylquinolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2001","57","3","o234","o235","10.1107/S1600536801002574","","","1.5418","CuKα","","0.0548","0.0499","","","","0.1512","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200128","9.3854","0.0008","11.0958","0.0009","12.7495","0.0011","93.018","0.005","101.092","0.005","97.548","0.004","1287.47","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cl20 N4 Si -","- C30 H36 Cl20 N4 Si -","- C30 H36 Cl20 N4 Si -","1","0.5","CF6043","Stumpf, Thorsten; Bolte, Michael","Dihydridotetrakis(4-picoline-<i>N</i>)silicon dichloride chloroform hexasolvate","Acta Crystallographica Section E","2001","57","3","o209","o211","10.1107/S1600536801002239","","","0.71073","MoKα","","0.1005","0.0687","","","","0.1811","","","","","","1.194","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200129","9.506","0.001","11.337","0.002","12.96","0.002","92.28","0.01","104.06","0.01","98.2","0.01","1337","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Br2 Cl18 N4 Si -","- C30 H36 Br2 Cl18 N4 Si -","- C30 H36 Br2 Cl18 N4 Si -","1","0.5","CF6044","Bolte, Michael; Faber, Alexander","Dihydridotetrakis(4-picoline-<i>N</i>)silicon dibromide chloroform hexasolvate","Acta Crystallographica Section E","2001","57","3","o207","o208","10.1107/S1600536801002227","","","0.71073","MoKα","","0.0654","0.0535","","","","0.1477","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200130","10.0849","0.0009","10.6081","0.0007","22.917","0.003","90","","90","","90","","2451.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Cl2 N P Pt -","- C27 H26 Cl2 N P Pt -","- C108 H104 Cl8 N4 P4 Pt4 -","4","1","CF6045","Ellis, Dianne D.; Spek, Anthony L.","Dichloro[2-(2-Diphenylphosphino)-<i>N</i>-(1-phenylethyl)benzylamine-<i>C</i>^{α^},<i>P</i>]platinum","Acta Crystallographica Section E","2001","57","3","m106","m108","10.1107/S1600536801002586","","","0.71073","MoKα","","0.0385","0.0309","","","","0.0646","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200131","14.3872","0.0018","8.2696","0.001","16.1442","0.0015","90","","108.327","0.007","90","","1823.4","0.4","296","1","296","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,2'-(Cinnamylisoindolin-1,3-diylidene)bispropanedinitrile","2,2'-{2-[(E)-3-phenylprop-2-enyl]-2,3-dihydro-1H-isoindol-1,3-diylidene}- dimalononitrile","","- C23 H13 N5 -","- C23 H13 N5 -","- C92 H52 N20 -","4","1","CF6047","Crean, Colm; Gallagher, John F.; Pratt, Albert C.","2,2'-{2-[(<i>E</i>)-3-Phenylprop-2-enyl]-2,3-dihydro-1<i>H</i>-isoindol-1,3-diylidene}dimalononitrile, a π-deficient system for π···π (1:1) stacking investigations","Acta Crystallographica Section E","2001","57","3","o236","o238","10.1107/S1600536801002598","","","0.71073","MoKα","","0.059","0.042","","","","0.112","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200132","7.4634","0.0011","13.747","0.002","17.352","0.003","90","","94.862","0.012","90","","1773.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Guggulsterone E","4,17(20)-(cis)-pregnadiene-3,16-dione","","- C21 H28 O2 -","- C21 H28 O2 -","- C84 H112 O8 -","4","2","CF6049","Sarkhel, Sanjay; Yadava, Umesh; Prakash, Prem; Jain, Girish K.; Singh, Satywan; Maulik, Prakash R.","Guggulsterone E, a lipid-lowering agent from <i>Commiphora mukul</i>","Acta Crystallographica Section E","2001","57","3","o285","o286","10.1107/S1600536801003142","","","0.71073","MoKα","","0.1106","0.0633","","","","0.2367","","","","","","0.921","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200133","20.9568","0.0012","10.6129","0.0006","14.7853","0.0009","90","","134.586","0.003","90","","2342","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-1-(2-hydroxy-3,4-dimethoxyphenyl)-2-methylpropanone","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","1","CF6050","Azim, Abul; Errington, William; Parmar, Virinder S.","3-Hydroxy-1-(2-hydroxy-3,4-dimethoxyphenyl)-2-methylpropanone","Acta Crystallographica Section E","2001","57","3","o266","o268","10.1107/S1600536801003518","","","0.71073","MoKα","","0.0492","0.0373","","","","0.1096","","","","","","1.064","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200134","8.3334","0.0009","8.08","0.002","27.274","0.006","90","","93.57","0.01","90","","1832.9","0.6","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 I3 N2 S2 -","- C10 H20 I3 N2 S2 -","- C40 H80 I12 N8 S8 -","4","1","CF6051","Hambley, Trevor W.; Jackson, Timothy W.; Kojima, Masaharu; Knott, Robert. B.; Lambrecht, Richard M.; Turner, Peter","6,6,9,9-Tetramethyl-1,2,5,6,9,9a-hexahydroimidazo[2,1-<i>d</i>][1,2,5]dithiazepin-1-ium triiodide","Acta Crystallographica Section E","2001","57","4","o315","o317","10.1107/S160053680100407X","","","0.7107","MoKα","","0.0921","0.0407","","0.0377","","0.0332","","","1.6","","","1.857","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200135","14.4908","0.0005","23.1755","0.0005","9.6971","0.0005","90","","91.899","0.002","90","","3254.8","0.2","90","0.1","90","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(DEAS-bpy)Re(CO)3CL]","{4,4'-Bis[p-(diethylamino)-alfa-styryl]-2,2' -bipyridine}chlorotricarbonylrhenium(I)","","- C37 H38 Cl N4 O3 Re -","- C37 H38 Cl N4 O3 Re -","- C148 H152 Cl4 N16 O12 Re4 -","4","1","CF6052","Gerlits, O. O.; Coppens, P.","{4,4'-Bis[<i>p</i>-(diethylamino)-α-styryl]-2,2'-bipyridine}tricarbonylchlororhenium(I)","Acta Crystallographica Section E","2001","57","4","m164","m166","10.1107/S1600536801004573","","","0.71073","MoKα","","0.0421","0.0277","","","","0.0654","","","","","","0.972","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200136","10.9982","0.0017","14.85","0.002","6.7625","0.0006","96.864","0.009","93.694","0.009","81.945","0.012","1084.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Cyanophenyl 4-n-decanyloxybenzoate","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C48 H58 N2 O6 -","2","1","CF6054","Kubo, Kanji; Mori, Akira","4-Cyanophenyl 4-<i>n</i>-decanyloxybenzoate","Acta Crystallographica Section E","2001","57","4","o318","o320","10.1107/S1600536801004081","","","0.71073","MoKα","","0.2706","0.0711","","","","0.3029","","","","","","0.922","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200137","13.6308","0.0008","15.1336","0.0009","16.154","0.001","90","0.004","151.086","0.003","90","0.01","1611.2","0.2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","CF6057","Zerzouf, A.; El Meslouhi, H.; Salem, M.; Essassi, E. M.; Pierrot, M.","Methyl (3-hydroxy-4-oxo-2-phenyl-1,5-benzothiazepin-5-yl)acetate","Acta Crystallographica Section E","2001","57","4","o362","o363","10.1107/S1600536801004846","","","0.71073","MoKα","","0.065","0.045","","0.05","","0.048","","","1.51","","","1.364","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200138","6.8331","0.001","16.4997","0.0014","17.329","0.0013","90","","90.216","0.008","90","","1953.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(4-nitrophenylsulfonyl)-1,3-phenylenediamine","N,N'-m-Phenylenebis(4-nitrobenzenesulfonamide)","","- C18 H14 N4 O8 S2 -","- C18 H14 N4 O8 S2 -","- C72 H56 N16 O32 S8 -","4","1","CI6000","Heigel, Erik; Bock, Hans","<i>N</i>,<i>N</i>'-<i>m</i>-Phenylenebis(4-nitrobenzenesulfonamide)","Acta Crystallographica Section E","2001","57","3","o239","o241","10.1107/S1600536801001775","","","0.71073","MoKα","","0.048","0.037","","","","0.1","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200139","8.851","0.002","11.435","0.004","5.831","0.001","94.42","0.02","92.79","0.02","107.65","0.02","559.1","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C28 H20 N4 O4 -","2","1","CI6001","Duthie, Andrew; Scammells, Peter; Katsifis, Andrew; Tiekink, Edward R. T.","(1,3-Benzo[<i>d</i>]dioxol-5-yl)(2-pyridyl)methyl cyanide","Acta Crystallographica Section E","2001","57","2","o104","o105","10.1107/S1600536801000198","","","0.7107","MoKα","","0.061","0.039","","","","0.139","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200140","9.4058","0.0005","7.7654","0.0004","10.2125","0.0006","90","","94.349","0.003","90","","743.77","0.07","291","1","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C36 H42 F2 O4 -","2","1","CI6002","Uerdingen, Marc; Schürmann, Markus; Preut, Hans; Krause, Norbert","3,17-Dioxo-11-fluoroandrosta-4,6-diene","Acta Crystallographica Section E","2001","57","2","o106","o107","10.1107/S1600536801000484","","","0.71073","MoKα","","0.094","0.042","","","","0.096","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200141","19.457","0.002","6.442","0.001","24.619","0.001","90","","110.95","0.08","90","","2881.8","1.6","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4-(p-toluidinomethylene)-2-phenyl-2-oxazolin-5-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","CI6003","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Singh, R. M; Srivastava, Ambika","2-Phenyl-4-(<i>p</i>-toluidinomethylene)-5-oxazolone","Acta Crystallographica Section E","2001","57","2","o120","o121","10.1107/S160053680100109X","","","1.5418","CuKα","","0.05","0.044","","","","0.125","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200142","17.7903","0.0015","5.5559","0.0005","18.032","0.0017","90","","94.815","0.008","90","","1776","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5,13-trimethyl-8,10-dioxa-9-phenyl tetracyclo[7.7.1.0^2^7^0^11^16^] heptadeca-2,4,6,11,13,15-hexaene","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","CI6004","Vijayalakshmi. L; Parthasarathi. V; Narasinh Dodia; Anamik Shah","1,5,13-Trimethyl-9-phenyl-8,10-dioxatetracyclo[7.7.1.0^2,7^.0^11,16^]heptadeca-2,4,6,11,13,15-hexaene","Acta Crystallographica Section E","2001","57","3","o212","o213","10.1107/S1600536801001970","","","0.71073","MoKα","","0.055","0.05","","","","0.134","","","","","","1.13","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200143","7.8683","0.0012","7.913","0.002","26.0869","0.0011","90","","90","","90","","1624.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(3-cyano-6-methylcoumarin-4-yl)-1-(4-methoxyphenyl)ethene","3-cyano-4-[2-(4-methoxyphenyl)ethenyl]-6-methyl-2H-1-benzopyran-2-one","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","CI6005","Vijayalakshmi, L; Parthasarathi, V; Varu, Bharat; Shah, Anamik","3-Cyano-4-[2-(4-methoxyphenyl)ethenyl]-6-methyl-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section E","2001","57","3","o245","o246","10.1107/S1600536801002653","","","1.54175","CuKα","","0.057","0.051","","","","0.144","","","","","","1.17","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200144","10.473","0.002","24.303","0.005","3.8594","0.0008","90","","90","","90","","982.3","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(3-Chloro-4-methylphenyl)pyrroline-2,5-dione","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C44 H32 Cl4 N4 O8 -","4","1","CI6006","Lynch, Daniel E.; McClenaghan, Ian","1-(3-Chloro-4-methylphenyl)-3-pyrroline-2,5-dione","Acta Crystallographica Section E","2001","57","2","o147","o148","10.1107/S1600536801001404","","","0.71073","MoKα","","0.078","0.052","","","","0.131","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200145","10.8071","0.0006","13.6951","0.0008","16.4285","0.0011","90","","102.78","0.004","90","","2371.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N-benzophenoneimine) enea-carbonyl dirhenium(0)","","- C22 H11 N O9 Re2 -","- C22 H11 N O9 Re2 -","- C88 H44 N4 O36 Re8 -","4","1","CI6007","Cabeza, Javier A.; del Río, Ignacio; Zuñiga-Villarreal, Noé; García-Granda, Santiago","(Benzophenone imine-<i>N</i>)nonacarbonyldirhenium(0)(<i>Re</i>—<i>Re</i>)","Acta Crystallographica Section E","2001","57","3","m130","m131","10.1107/S1600536801003658","","","0.71073","MoKα","","0.117","0.034","","","","0.094","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200146","13.281","0.003","11.161","0.002","17.756","0.003","90","","107.49","0.01","90","","2510.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-Benzyl-2-(p-methoxystyryl)-3-(p-tolyl)-1,2,3,4-tetrahydroquinazolin-4-one","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C124 H112 N8 O8 -","4","1","CI6008","Mukherjee, Monika; Maiti, Susim; Chaudhuri, Gopeswar; Helliwell, Madeleine; Kundu, Nitya G.","(<i>E</i>)-1-Benzyl-2-(<i>p</i>-methoxystyryl)-3-(<i>p</i>-tolyl)-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section E","2001","57","3","o247","o249","10.1107/S1600536801002811","","","1.5418","CuKα","","0.078","0.047","","","","0.182","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200147","14.072","0.002","17.617","0.002","14.84","0.002","90","","95.425","0.009","90","","3662.5","0.8","203","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(η^4^-cycloocta-1,5-diene)rhodium(I)trifluoromethanesulfonate","","- C17 H24 F3 O3 Rh S -","- C17 H24 F3 O3 Rh S -","- C136 H192 F24 O24 Rh8 S8 -","8","1","CI6009","Dahlenburg, Lutz; Osthoff, Nils; Heinemann, Frank","Bis(η^4^-cycloocta-1,5-diene)rhodium(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2001","57","3","m117","m118","10.1107/S1600536801003208","","","0.71073","MoKα","","","0.058","","","","0.154","","","","","","1.02","","","","has coordinates,has Fobs","192333","2020-10-21","18:00:00",""
"2200148","8.6209","0.0002","13.9266","0.0004","16.4518","0.0006","90","","90","","90","","1975.2","0.1","200","1","200","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1H,3H-furano[3,4-c]- isoindol-3-one","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","CI6010","Tam, William; Tranmer, Geoffrey K.; Lough, Alan J.","6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1<i>H</i>,3<i>H</i>-furano[3,4-<i>c</i>]isoindol-3-one","Acta Crystallographica Section E","2001","57","3","o269","o270","10.1107/S1600536801003270","","","0.71073","MoKα","","0.06","0.043","","","","0.112","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200149","12.379","0.003","9.389","0.002","12.995","0.003","90","","116.6","0.03","90","","1350.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-3-(4-methylpiperizino)-1,4-naphthoquinone","","- C15 H15 Cl N2 O2 -","- C15 H15 Cl N2 O2 -","- C60 H60 Cl4 N8 O8 -","4","1","CI6012","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-3-(4-methylpiperazino)-1,4-naphthoquinone","Acta Crystallographica Section E","2001","57","3","o287","o288","10.1107/S1600536801003634","","","0.71073","MoKα","","0.062","0.042","","","","0.116","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200150","10.074","0.001","18.139","0.002","11.3858","0.0009","90","","105.426","0.008","90","","2005.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(dicyclohexylthiophosphinoyl)-N-phenylthioformamide","","","- C19 H28 N P S2 -","- C19 H28 N P S2 -","- C76 H112 N4 P4 S8 -","4","1","CI6013","Horn, E.; Kurosawa, K.; Tiekink, E. R. T.","Monoclinic form of 1-(dicyclohexylthiophosphinoyl)-<i>N</i>-phenylthioformamide","Acta Crystallographica Section E","2001","57","4","o321","o322","10.1107/S160053680100410X","","","0.7107","MoKα","","","0.04","","","","0.028","","","","","","1.688","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200151","13.495","0.002","17.324","0.003","13.471","0.002","90","","93.01","0.01","90","","3145","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis[di-n-butylbis(thiophene-2-carboxylato-O,O')tin(VI) oxide]","octa-n-butyl-1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C-di-μ~3~-oxo- 1:2:3κ^3^O;2:3:4:κ^3^O-tetrakis(thiophene-2-carboxylate)- 1κO;1:2κ^2^O:O';3:4κ^2^O:O';4κO-tetratin(VI)","","- C52 H84 O10 S4 Sn4 -","- C52 H84 O10 S4 Sn4 -","- C104 H168 O20 S8 Sn8 -","2","1","CI6014","Yahyi, Abderrahmane; Et-touhami, Abdelkader; Zidane, Ismail; Benchat, Nour-eddine; El-Bali, Brahim; Bolte, Michael","Redetermination of bis[di-<i>n</i>-butylbis(thiophene-2-carboxylato-<i>O</i>,<i>O</i>')tin(VI) oxide] at low temperature","Acta Crystallographica Section E","2001","57","4","m148","m150","10.1107/S1600536801004214","","","0.71073","MoKα","","0.027","0.022","","","","0.049","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200152","13.4255","0.0003","21.1335","0.0006","28.6552","0.0008","90","","90","","90","","8130.3","0.4","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(Benzylamine-N)(η^5^-cyclopentadienyl)bis(triphenylphosphine-P)ruthenium(II) tetrafluoroborate","","- C48 H44 B F4 N P2 Ru -","- C48 H44 B F4 N P2 Ru -","- C384 H352 B8 F32 N8 P16 Ru8 -","8","1","CI6016","Cabeza, Javier A.; del Río, Ignacio; Navarro, M. Elena; García-Granda, Santiago","(Benzylamine-<i>N</i>)(η^5^-cyclopentadienyl)bis(triphenylphosphine-<i>P</i>)ruthenium(II) tetrafluoroborate","Acta Crystallographica Section E","2001","57","4","m162","m163","10.1107/S1600536801004469","","","1.54179","CuKα","","0.11","0.047","","","","0.133","","","","","","0.9","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200153","34.115","0.006","10.4377","0.0017","7.484","0.003","90","","90","","90","","2664.9","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C120 H112 N16 O8 S8 -","8","1","CI6018","Scammells, Peter J.; Tranberg, C. Elisabet; Tiekink, Edward R. T.","6,7-Dimethyl-5-phenyl-1<i>H</i>-thieno[2,3-<i>e</i>][1,4]diazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2001","57","4","o344","o345","10.1107/S1600536801004585","","","0.7107","MoKα","","0.08","0.045","","","","0.152","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200154","12.809","0.003","8.608","0.002","19.482","0.004","90","","95.81","0.02","90","","2137","0.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","bis-clemizolchlorocopper(II)chloride","Dichloro[1-(p-chlorophenylmethyl)-2-(1-pyrrolidinylmethyl)benzimidazole- N,N'']copper(II) Ethanol Solvate","","- C40 H46 Cl4 Cu N6 O -","- C40 H46 Cl4 Cu N6 O -","- C80 H92 Cl8 Cu2 N12 O2 -","2","1","CV6000","Braitenbach, Kristin; Parvez, Masood","Chlorobis(clemizole)copper(II) chloride ethanol solvate","Acta Crystallographica Section E","2001","57","2","m67","m69","10.1107/S1600536801001039","","","1.54178","CuKα","","0.053","0.051","","","","0.142","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200155","11.2481","0.0004","7.1112","0.0003","16.1263","0.0007","90","","99.043","0.005","90","","1273.87","0.09","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(dinitromethyl)cubane","1,4-bis(dinitromethyl)cubane","","- C10 H8 N4 O8 -","- C10 H8 N4 O8 -","- C40 H32 N16 O32 -","4","1","CV6001","Deschamps, Jeffrey R.; Moriarty, R. M.; Gilardi, Richard D.","1,4-Bis(dinitromethyl)cubane","Acta Crystallographica Section E","2001","57","2","o149","o150","10.1107/S1600536801001374","","","1.54178","CuKα","","0.054","0.05","","","","0.139","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200156","7.494","0.001","7.974","0.002","10.303","0.002","100.58","0.03","98.38","0.03","107.98","0.03","562","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-(5-chloropyridin-2-yl)-isoindole-1,3-dione","","- C13 H7 Cl N2 O2 -","- C13 H7 Cl N2 O2 -","- C26 H14 Cl2 N4 O4 -","2","1","CV6002","Holband, Jolanta; Jurkin, Magdalena; Wójcik, Grażyna; Holband, Tomasz","2-(5-Chloropyridin-2-yl)-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","Acta Crystallographica Section E","2001","57","3","o250","o251","10.1107/S1600536801003026","","","0.71073","MoKα","","0.0414","0.0403","","","","0.1195","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200157","11.1046","0.0012","11.4205","0.0011","12.7004","0.0009","72.632","0.007","78.905","0.007","62.198","0.011","1357.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 Si2 -","- C32 H28 Si2 -","- C64 H56 Si4 -","2","1","CV6003","Lee, Suk Joong; Han, Byung Hee; Sung, Chang-Keun; Kim, Jin-Gyu; Suh, Il-Hwan","(<i>E</i>)-1-Diphenylsilyl-2-triphenylsilylethene","Acta Crystallographica Section E","2001","57","3","o271","o272","10.1107/S1600536801003439","","","0.71069","MoKα","","0.1363","0.0627","","","","0.1461","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200158","5.392","0.0018","6.858","0.003","8.96","0.006","71.88","0.04","74.04","0.03","85.41","0.04","302.8","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 O4 S2 -","- C10 H16 O4 S2 -","- C10 H16 O4 S2 -","1","0.5","CV6004","Koskimies, Jorma; Näsäkkälä, Matti; Mutikainen, Ilpo","1,8-Dioxa-4,11-dithiacyclotetradecane-2,9-dione","Acta Crystallographica Section E","2001","57","3","o261","o263","10.1107/S1600536801003038","","","0.71073","MoKα","","0.0501","0.0484","","","","0.1294","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200159","9.0561","0.0004","11.533","0.0005","28.0118","0.0013","90","","90","","90","","2925.7","0.2","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4SR,6SR)-6-(2-Phenylethyl)-4-phenyl-1,4,3-oxathiazin-2(6H)-one","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C136 H136 N8 O16 S8 -","8","1","CV6005","Schlummer, Björn; Massa, Werner; Bach, Thorsten","A new heterocylic ring system in (4<i>SR</i>,6<i>SR</i>)-6-(2-phenylethyl)-4-phenyl-1,4,3-oxathiazin-2(6<i>H</i>)-one","Acta Crystallographica Section E","2001","57","3","o252","o253","10.1107/S160053680100304X","","","1.54178","CuKα","","0.0518","0.0385","","","","0.1055","","","","","","1.047","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200160","10.2648","0.0005","23.4667","0.0011","13.204","0.0006","90","","103.847","0.001","90","","3088.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline tricarbonyl acetonitrile rhenium hexafluorophosphate","","- C31 H23 F6 N3 O3 P Re -","- C31 H23 F6 N3 O3 P Re -","- C124 H92 F24 N12 O12 P4 Re4 -","4","1","CV6006","Sun, Shih-Sheng; Zavalij, Peter Y.; Lees, Alistair J.","Acetonitriletricarbonyl(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)rhenium(I) hexafluorophosphate","Acta Crystallographica Section E","2001","57","3","m119","m121","10.1107/S1600536801003440","","","0.71073","MoKα","","0.0745","0.0419","","","","0.0998","","","","","","0.933","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200161","5.5475","0.0008","37.69","0.005","7.4742","0.0006","90","","96.462","0.009","90","","1552.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Eupatorin","5,3'-dihydroxy-6,7,4'-trimethoxyflavone","","- C18 H16 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","CV6007","Parvez, Masood; Riaz, Muhammad; Malik, Abdul","Eupatorin","Acta Crystallographica Section E","2001","57","3","o289","o291","10.1107/S1600536801003609","","","1.54178","CuKα","","0.045","0.038","","","","0.121","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200162","9.2706","0.0013","10.4565","0.0008","15.094","0.003","90","","90","","90","","1463.2","0.4","300","","300","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","dihydroparthenolide diol","2,10-dihydroxy-1,6,10-trimethyl-4,14-dioxztricyclo[9.2.1.0^3,7^]tetradecan-5-one","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","CV6008","Rugutt, Joseph K.; Fronczek, Frank R.; Franzblau, Scott G.; Warner, Isiah M.","Dihydroparthenolide diol, a novel sesquiterpene lactone","Acta Crystallographica Section E","2001","57","4","o323","o325","10.1107/S1600536801004111","","","1.54184","CuKα","","0.049","0.044","","","","0.128","","","","","","1.068","","","","has coordinates,has Fobs","211399","2020-10-21","18:00:00",""
"2200163","19.028","0.003","19.166","0.003","9.4466","0.0005","90","","90","","90","","3445.1","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4-(2,3,5,6-tetrahydro-3,3-dimethyl-5,6-dioxo-1,2-cycloheptapyrazol-2-yl)- benzoate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C152 H144 N16 O32 -","8","1","CV6009","Kubo, Kanji; Mori, Akira","Ethyl 4-(2,3,5,6-tetrahydro-3,3-dimethyl-5,6-dioxo-1,2-cycloheptapyrazol-2-yl)benzoate","Acta Crystallographica Section E","2001","57","4","o328","o329","10.1107/S1600536801004445","","","0.71073","MoKα","","0.285","0.0544","","","","0.1581","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200164","8.1172","0.0011","22.523","0.004","12.5352","0.0013","90","","105.362","0.012","90","","2209.9","0.6","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis Ketal","(-)-(4R,5R,4'''R,5'''R)-Dispiro[1,3-(4,5-dimethyl)- dioxalane-2,3'-[1',5'-(1'',8''-naphthalene)]- bicyclo[3.3.0]octane-7',2'''-[1,3]- (4''',5'''-dimethyl)-dioxalane]","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","2","CV6010","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","A chiral <i>C</i>~2~ axially symmetric naphthalene derivative of a bicyclooctane diketal","Acta Crystallographica Section E","2001","57","4","o346","o348","10.1107/S1600536801004457","","","0.71069","MoKα","","0.151","0.063","","","","0.239","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200165","9.799","0.003","19.331","0.005","9.054","0.003","90","","90","","90","","1715","0.9","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","bis Dioxane","(-)-(4R,5R,4''R,5''R)-4,5,4'',5''-Tetramethyldispiro[1,3-dioxalane- 2,1'(2'H)-acenaphthylene-2',2''-1,3-dioxalane]","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","CV6011","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","A novel chiral <i>C</i>~2~ axially symmetric acenaphthoquinone diketal","Acta Crystallographica Section E","2001","57","4","o366","o367","10.1107/S1600536801005049","","","0.71069","MoKα","","0.154","0.04","","","","0.167","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200166","9.338","0.0003","27.395","0.0008","7.457","0.0008","90","","90.568","0.001","90","","1907.5","0.2","290","1","290","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-pentylammonium dihydrogenarsenate","","- C5 H16 As N O4 -","- C5 H16 As N O4 -","- C40 H128 As8 N8 O32 -","8","2","CV6012","Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Ferroelastic <i>n</i>-pentylammonium dihydrogenarsenate","Acta Crystallographica Section E","2001","57","4","o349","o352","10.1107/S160053680100472X","","","0.71073","MoKα","","0.0703","0.0355","","0.0454","","0.0454","","","2.02","1.63","1.63","2.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200167","7.6279","0.0009","8.4019","0.001","8.6291","0.0004","97.171","0.006","99.673","0.006","95.728","0.01","536.76","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","co-crystal with 1,4-bis[(4-pyridyl)ethynyl]benzene and chloranilic acid","1,4-bis[(4-pyridinium)ethynyl]benzene chloranilate","","- C26 H14 Cl2 N2 O4 -","- C26 H14 Cl2 N2 O4 -","- C26 H14 Cl2 N2 O4 -","1","0.5","CV6013","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","One-dimensional hydrogen-bonded molecular tapes in 1,4-bis[(4-pyridinio)ethynyl]benzene chloranilate","Acta Crystallographica Section E","2001","57","4","o353","o355","10.1107/S1600536801004731","","","1.54178","CuKα","","0.1227","0.0534","","","","0.161","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200168","16.827","0.002","14.1071","0.0016","16.76","0.004","90","","93.95","0.016","90","","3969","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O3 S4 -","- C16 H16 N4 O3 S4 -","- C128 H128 N32 O24 S32 -","8","2","CV6014","Cho, Nam Sook; Hong, Soon Il; Choo, Geum-Hong; Kim, Jin-Gyu; Suh, Il-Hwan","1,5-[5,5'-(1,3-Phenylenedimethylenedithio)bis(2,3-dihydro-2-oxo-1,3,4-thiadiazol-3-yl)]-3-oxapentane","Acta Crystallographica Section E","2001","57","4","o368","o369","10.1107/S1600536801005116","","","0.71069","MoKα","","0.1292","0.0607","","","","0.1423","","","","","","1.015","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200169","14.7301","0.0002","12.0254","0.0002","23.796","0.0001","90","","90","","90","","4215.11","0.09","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-N-butyl-N-ethyldithiocarbamato-S:S')bis[(N-butyl-N- ethyldithiocarbamato)zinc(II)]","","- C28 H56 N4 S8 Zn2 -","- C28 H56 N4 S8 Zn2 -","- C112 H224 N16 S32 Zn8 -","4","0.5","NA6028","Baba, Ibrahim; Farina, Yang; Kassim, Karimah; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis(μ-<i>N</i>-butyl-<i>N</i>-ethyldithiocarbamato-<i>S</i>:<i>S</i>')bis[(<i>N</i>-butyl-<i>N</i>-ethyldithiocarbamato)zinc(II)]","Acta Crystallographica Section E","2001","57","2","m55","m56","10.1107/S1600536800020808","","","0.71073","MoKα","","0.083","0.047","","","","0.144","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200170","30.285","0.008","5.3022","0.0013","22.317","0.006","90","","102.263","0.004","90","","3501.8","1.6","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Phenylalanine nitrate (4/1)","","- C9 H11.25 N1.25 O2.75 -","- C9 H11.25 N1.25 O2.75 -","- C144 H180 N20 O44 -","16","4","NA6033","Görbitz, Carl Henrik","<small>L</small>-Phenylalanine nitrate (4/1)","Acta Crystallographica Section E","2001","57","2","o192","o194","10.1107/S1600536801000575","","","0.71073","MoKα","","0.134","0.113","","","","0.269","","","","","","1.629","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200171","4.1043","0.0007","7.453","0.0013","9.2875","0.0016","87.777","0.003","78.619","0.003","87.281","0.003","278.07","0.08","203","2","203","2","","","","","","","","5","P -1","-P 1","2","CrBr2.2THF","dibromobis(tetrahydrofuran-O)chromium(II)","","- C8 H16 Br2 Cr O2 -","- C8 H16 Br2 Cr O2 -","- C8 H16 Br2 Cr O2 -","1","0.5","NA6034","Twamley, Brendan; Zehnder, Ralph; Shapiro, Pamela J.","Solvated CrBr~2~(thf)~2~, a linear chain in the solid state","Acta Crystallographica Section E","2001","57","2","m80","m81","10.1107/S1600536801001660","","","0.71073","MoKα","","0.031","0.027","","","","0.071","","","","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200172","8.7856","0.0005","8.2058","0.0005","22.99","0.002","90","","95.513","0.006","90","","1649.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Pyridyl)-8H-pyrrolo[2,1-c]-s-triazolo[4,3-a][1,4]benzodiazepinium chloride","","- C18 H14 Cl N5 -","- C18 H14 Cl N5 -","- C72 H56 Cl4 N20 -","4","1","NA6035","Kubicki, Maciej; Codding, Penelope W.","1-(2-Pyridyl)-8<i>H</i>-pyrrolo[2,1-<i>c</i>]-<i>s</i>-triazolo[4,3-<i>a</i>][1,4]benzodiazepinium chloride","Acta Crystallographica Section E","2001","57","2","o122","o124","10.1107/S1600536801000952","","","1.54178","CuKα","","0.048","0.048","","","","0.113","","","","","","1.257","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200173","8.6673","0.0002","14.6092","0.0003","14.4783","0.0005","90","","107.287","0.001","90","","1750.46","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-bromophenyl)-3,7,7-trimethyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b] quinolin-5(6H)-one","","- C19 H20 Br N3 O -","- C19 H20 Br N3 O -","- C76 H80 Br4 N12 O4 -","4","1","NA6036","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","4-(4-Bromophenyl)-3,7,7-trimethyl-4,7,8,9-tetrahydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5(6<i>H</i>)-one","Acta Crystallographica Section E","2001","57","2","o151","o153","10.1107/S1600536801001453","","","0.71073","MoKα","","0.047","0.035","","","","0.096","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200174","8.582","0.0003","14.7031","0.0005","14.5369","0.0008","90","","106.061","0.0015","90","","1762.7","0.13","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,7,7-Trimethyl-4-(4-methoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]- quinolin-5(6H)-one (4).","","- C20 H23 N3 O2 -","- C20 H23.06 N3 O2 -","- C80 H92.24 N12 O8 -","4","1","NA6037","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","4-(4-Methoxyphenyl)-3,7,7-trimethyl-4,7,8,9-tetrahydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5(6<i>H</i>)-one","Acta Crystallographica Section E","2001","57","2","o154","o156","10.1107/S1600536801001465","","","0.71073","MoKα","","0.092","0.053","","","","0.141","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200175","10.087","0.0005","14.1978","0.0005","11.1928","0.0008","90","","96.034","0.0014","90","","1594.08","0.15","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,7,7-Trimethyl-4-phenyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5- (6H)-one","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","NA6038","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","3,7,7-Trimethyl-4-phenyl-4,7,8,9-tetrahydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5-(6<i>H</i>)-one","Acta Crystallographica Section E","2001","57","2","o157","o159","10.1107/S1600536801001477","","","0.71073","MoKα","","0.132","0.056","","","","0.148","","","","","","0.941","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200176","9.1222","0.0018","15.281","0.003","14.346","0.003","90","","106.13","0.03","90","","1921.1","0.7","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7,7-Trimethyl-4-(β-naphthyl)-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]- quinolin-5(6H)-one","","- C23 H23 N3 O -","- C23 H23 N3 O -","- C92 H92 N12 O4 -","4","1","NA6039","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","3,7,7-Trimethyl-4-(β-naphthyl)-4,7,8,9-tetrahydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5(6<i>H</i>)-one","Acta Crystallographica Section E","2001","57","2","o160","o162","10.1107/S1600536801001489","","","0.71073","MoKα","","0.086","0.051","","","","0.137","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200177","8.948","0.001","27.128","0.003","9.045","0.001","90","","94.3","0.01","90","","2189.4","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","1","NA6040","Bolte, Michael; Degen, Alexander; Rühl, Stephan","2,2'-[(3-Hydroxyphenyl)methylene]bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one) hydrate","Acta Crystallographica Section E","2001","57","2","o170","o171","10.1107/S1600536801001593","","","0.71073","MoKα","","0.0503","0.0405","","","","0.115","","","","","","1.006","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200178","33.845","0.004","7.214","0.001","22.605","0.003","90","","128.82","0.01","90","","4300.1","1.1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 O5 -","- C24 H30 O5 -","- C192 H240 O40 -","8","1","NA6041","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Redetermination of 3,3,6,6-tetramethyl-4a-hydroxy-9-(<i>ortho</i>-methoxyphenyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1<i>H</i>-xanthene-1,8-dione at 173K","Acta Crystallographica Section E","2001","57","2","o172","o173","10.1107/S160053680100160X","","","0.71073","MoKα","","0.047","0.0407","","","","0.111","","","","","","1.039","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200179","10.7112","0.0003","10.8297","0.0003","23.6321","0.0005","90","","90","","90","","2741.3","0.12","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(1H-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","NA6042","Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; .; Insuasty, Braulio; Abonia, Rodrigo; Albornoz, Andrea; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","6-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline","Acta Crystallographica Section E","2001","57","2","o178","o179","10.1107/S1600536801001672","","","0.71073","MoKα","","0.0667","0.0446","","","","0.1115","","","","","","1.272","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200180","6.3459","0.0013","19.235","0.004","11.144","0.002","90","","103.07","0.03","90","","1325","0.5","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(1,3-Benzothiazol-2-yliminomethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","NA6043","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Hernández, Pedro; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","5-(1,3-Benzothiazol-2-yliminomethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2001","57","2","o180","o181","10.1107/S1600536801001684","","","0.71073","MoKα","","0.0671","0.0451","","","","0.1231","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200181","5.5421","0.0002","11.5858","0.0005","23.8057","0.0013","90","","90","","90","","1528.56","0.12","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine","","- C19 H12 N4 O4 -","- C19 H12 N4 O4 -","- C76 H48 N16 O16 -","4","1","NA6044","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2001","57","2","o182","o184","10.1107/S1600536801001696","","","0.71073","MoKα","","0.0935","0.0469","","","","0.1243","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200182","19.0427","0.0002","9.6024","0.0004","16.6135","0.0007","90","","90","","90","","3037.87","0.18","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","5,5-Dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)amino]cyclohex-2-en-1-one","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C136 H152 N24 O8 -","8","2","NA6045","Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","5,5-Dimethyl-3-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]cyclohex-2-en-1-one","Acta Crystallographica Section E","2001","57","2","o185","o186","10.1107/S1600536801001702","","","0.71073","MoKα","","0.0736","0.0516","","","","0.1228","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200183","5.6606","0.0002","11.7048","0.0005","21.6815","0.001","90","","94.797","0.0015","90","","1431.5","0.1","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(2-hydroxybenzoyl)-2-phenylpyrazolo[1,5-a]pyrimidine","","- C19 H13 N3 O2 -","- C19 H13 N3 O2 -","- C76 H52 N12 O8 -","4","1","NA6046","Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","6-(2-Hydroxybenzoyl)-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2001","57","2","o187","o188","10.1107/S1600536801001714","","","0.71073","MoKα","","0.0742","0.0458","","","","0.136","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200184","3.9972","0.0004","14.0618","0.0017","9.5477","0.0011","90","","100.6","0.007","90","","527.5","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[4-(Dimethylamino)phenyl]ethylene-1,1-dinitrile","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","NA6047","Wang, Kezhi; Wang, Zheming; Yan, Chunhua","2-[4-(Dimethylamino)phenyl]ethylene-1,1-dinitrile","Acta Crystallographica Section E","2001","57","3","o214","o215","10.1107/S1600536801001957","","","0.71073","MoKα","","0.0485","0.0386","","","","0.1057","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200185","7.5468","0.0015","9.874","0.002","20.378","0.004","95.2","0.03","91.64","0.03","110.15","0.03","1416.8","0.6","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","Tetradecyl-triphenylstannane","","- C32 H44 Sn -","- C32 H44 Sn -","- C64 H88 Sn2 -","2","1","NA6048","Allan, Gillian, M.; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.; Wardell, Solange M. S. V.","Triphenyltetradecylstannane","Acta Crystallographica Section E","2001","57","3","m95","m96","10.1107/S1600536801002331","","","0.71073","MoKα","","0.0531","0.0345","","","","0.0708","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200186","6.564","0.0003","9.7316","0.0005","28.4686","0.0014","90","","90","","90","","1818.52","0.15","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","NA6049","Zelder, Claudia; Schürmann, Markus; Preut, Hans; Krause, Norbert","Cyclodec-2'-ynyl (1<i>S</i>,1'<i>R</i>)-(‒)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section E","2001","57","3","o216","o217","10.1107/S1600536801002380","","","0.71073","MoKα","","0.1312","0.0395","","","","0.0846","","","","","","0.963","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200187","14.882","0.003","10.366","0.002","24.064","0.003","90","","121.987","0.011","90","","3148.6","1","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl-5-dimethylamino-3-(pyrrole)-2,4-pentadieniminium tetrafluoroborate","","- C13 H20 B F4 N3 -","- C13 H20 B F4 N3 -","- C104 H160 B8 F32 N24 -","8","2","NA6050","Ferguson, George; McAlees, Alan J.; McCrindle, Robert","<i>N</i>,<i>N</i>-Dimethyl-5-dimethylamino-3-(1-pyrrolyl)-2,4-pentadieniminium tetrafluoroborate","Acta Crystallographica Section E","2001","57","3","o295","o297","10.1107/S1600536801003166","","","0.71073","MoKα","","0.1429","0.0611","","","","0.2197","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200188","16.909","0.003","6.525","0.001","9.622","0.002","90","","101.46","0.03","90","","1040.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","morpholinyl tert-butyl urea","N-tert-Butylmorpholine-4-carboxamide","","- C9 H18 N2 O2 -","- C9 H18 N2 O2 -","- C36 H72 N8 O8 -","4","1","NA6051","Kruszynski, Rafal; Bartczak, Tadeusz J.; Lach, Dariusz; Brandt, Krystyna","<i>N</i>-<i>tert</i>-Butylmorpholine-4-carboxamide","Acta Crystallographica Section E","2001","57","3","o273","o275","10.1107/S1600536801003282","","","0.71073","MoKα","","0.07","0.0649","","","","0.1722","","","","","","1.134","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200189","13.667","0.002","15.046","0.002","17.764","0.002","90","","100.32","0.01","90","","3593.8","0.8","297","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H48 Br Co N2 O6 -","- C36 H48 Br Co N2 O6 -","- C144 H192 Br4 Co4 N8 O24 -","4","2","NA6052","Ohba, Shigeru; Nagata, Takushi; Yamada, Tohru","(‒)~D~-Aquabromo{3,3'-[(1<i>R</i>,2<i>R</i>)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diylbis(nitrilomethylidyne)]bis(pentane-2,4-dionato)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}cobalt(III) tetrahydrofuran solvate","Acta Crystallographica Section E","2001","57","3","m124","m126","10.1107/S1600536801003592","","","0.71073","MoKα","","","0.0638","","","","0.1859","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200190","6.277","0.0001","19.708","0.0004","11.9399","0.0001","90","","101.64","","90","","1446.67","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(1-Acetamido-3-methyl)butyl-5methyl-2,4-imidazolidinedione","","- C11 H21 N3 O4 -","- C11 H21 N3 O4 -","- C44 H84 N12 O16 -","4","1","NA6053","SethuSankar, K.; Thennarasu, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Perumal, P.T.","5-(1-Acetamido-3-methylbutyl)-5-methylimidazolidine-2,4-dione monohydrate","Acta Crystallographica Section E","2001","57","4","o377","o379","10.1107/S1600536801004561","","","0.71073","MoKα","","0.0815","0.0572","","","","0.1662","","","","","","0.941","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200191","9.8535","0.0007","14.888","0.001","12.5317","0.0008","90","","108.805","0.005","90","","1740.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 2-(acridin-9-ylmethylene)malonate","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","NA6054","Senhaji, Fatima-Zahra; El-Bali, Brahim; Kerbal, Abdelali; Tajdine, Janati; Bitit, Najib; Bolte, Michael","Diethyl 2-(acridin-9-ylmethylene)malonate","Acta Crystallographica Section E","2001","57","3","o298","o299","10.1107/S160053680100366X","","","0.71073","MoKα","","0.0402","0.0358","","","","0.0863","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200192","16.624","0.0005","26.0007","0.0016","8.2207","0.0007","90","","90","","90","","3553.3","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4,8,9,10-Tetra(4-methoxyphenyl)-1,3-diazaadamantan-6-one-benzene solvate","","- C42 H42 N2 O5 -","- C42 H42 N2 O5 -","- C168 H168 N8 O20 -","4","0.5","NA6059","Krishnakumar, R. V.; Vijayakumar, V.; Sundaravadivelu, M.; Natarajan, S.; Perumal, S.; Selvaraj, S.","4,8,9,10-Tetrakis(4-methoxyphenyl)-1,3-diazaadamantan-6-one benzene solvate","Acta Crystallographica Section E","2001","57","4","o305","o306","10.1107/S1600536801003956","","","1.5418","CuKα","","0.1083","0.0662","","","","0.1913","","","","","","1.134","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200193","5.7818","0.0002","15.32","0.001","17.469","0.001","90","","97.476","0.001","90","","1534.2","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C60 H68 N20 O4 -","4","1","NA6060","Wang, Ying; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul","Diphenylcarbazide acetonitrile solvate","Acta Crystallographica Section E","2001","57","4","o312","o314","10.1107/S160053680100397X","","","0.71073","MoKα","","0.0834","0.0561","","","","0.1712","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200194","5.1677","0.0006","7.1944","0.0009","11.6869","0.0015","90","","100.449","0.002","90","","427.3","0.09","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethanedithiol Diacetate","","- C6 H10 O2 S2 -","- C6 H10 O2 S2 -","- C12 H20 O4 S4 -","2","0.5","NA6061","Fleischer, Holger; Schollmeyer, Dieter","Ethanedithiol diacetate","Acta Crystallographica Section E","2001","57","4","o330","o331","10.1107/S1600536801004408","","","0.71069","MoKα","","0.0414","0.0399","","","0.1157","0.118","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200195","6.6159","0.0007","8.507","0.001","9.468","0.001","88.57","0.06","72.53","0.09","80.89","0.04","501.7","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C22 H24 N4 S2 -","2","1","NA6062","Moussaif, A.; Essassi, E. M.; Pierrot, M.","2,3,4,5-Tetrahydro-1,3-thiazepino[3,2-<i>a</i>][1,3]benzimidazole","Acta Crystallographica Section E","2001","57","4","o364","o365","10.1107/S1600536801004913","","","0.71073","MoKα","","0.057","0.052","","0.091","","0.091","","","1.009","","","1.002","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200196","10.347","0.002","11.496","0.002","12.569","0.003","106.61","0.03","92.04","0.03","114.55","0.03","1282.6","0.6","296","1","23","1","","","","","","","","5","P -1","-P 1","2","","tetrakis-(N,N-di-(4-Cl-phenyl)formamidinato)dimolybdenum(II)","","- C52 H36 Cl8 Mo2 N8 -","- C52 H36 Cl8 Mo2 N8 -","- C52 H36 Cl8 Mo2 N8 -","1","0.5","OB6009","Lynn, Matthew A.; Selby, Hugh D.; Carducci, Michael D.; Bruck, Michael A.; Grittini, Carina; Lichtenberger, Dennis L.","Tetrakis[μ-<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)formamidinato-<i>N</i>:<i>N</i>']dimolybdenum(II)","Acta Crystallographica Section E","2001","57","2","m57","m58","10.1107/S1600536800021139","","","0.71073","MoKα","","0.0266","0.0236","","","","0.0644","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200197","10.437","0.002","11.61","0.002","12.801","0.003","107","0.03","92.56","0.03","113.31","0.03","1339.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","tetrakis-((4-Br-Ph)form) dimolybdenum(II)","Tetrakis[μ-N,N'-bis(4-bromophenyl)formamidinato-N:N']dimolybdenum(II)","","- C52 H36 Br8 Mo2 N8 -","- C52 H36 Br8 Mo2 N8 -","- C52 H36 Br8 Mo2 N8 -","1","0.5","OB6010","Matthew A. Lynn; Hugh D. Selby; Michael D. Carducci; Michael A. Bruck; Carina Grittini; Dennis L. Lichtenberger","Tetrakis[μ-<i>N</i>,<i>N</i>'-bis(4-bromophenyl)formamidinato-<i>N</i>:<i>N</i>']dimolybdenum(II)","Acta Crystallographica Section E","2001","57","2","m70","m71","10.1107/S160053680100071X","","","0.71073","MoKα","","0.174","0.064","","","","0.11","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200198","13.32","0.006","7.253","0.002","9.42","0.003","90","","90","","90","","910.1","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Sodium bromoaurate dihydrate","Sodium tetrabromoaurate(III) dihydrate","","- Au Br4 H4 Na O2 -","- Au Br4 H4 Na O2 -","- Au4 Br16 H16 Na4 O8 -","4","0.5","OB6012","Welter, Richard; Omrani, Hedi; Vangelisti, Rene","Sodium tetrabromoaurate(III) dihydrate","Acta Crystallographica Section E","2001","57","2","i8","i9","10.1107/S1600536800021140","","","0.5608","AgKα","","0.1","0.049","","","","0.097","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200199","11.6587","0.0009","7.2783","0.0006","27.9741","0.0016","90","","99.684","0.003","90","","2339.9","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Cyano-4-(N,N-dimethylamino)-6-phenyl-2H-pyran-2-one","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","2","OB6013","Errington, William; Malhotra, Sanjay; Parmar, Virinder S","3-Cyano-4-(<i>N</i>,<i>N</i>-dimethylamino)-6-phenyl-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2001","57","2","o108","o110","10.1107/S1600536800021115","","","0.71073","MoKα","","0.096","0.048","","","","0.114","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200200","3.901","0.001","17.398","0.002","15.749","0.002","90","","94.51","0.01","90","","1065.6","0.3","173","1","173","1","","","","","","","","3","C 1 c 1","C -2yc","9","","2,3,4'-Trichlorobiphenyl","","- C12 H7 Cl3 -","- C12 H7 Cl3 -","- C48 H28 Cl12 -","4","1","OB6018","Lehmler, Hans-Joachim; Parkin, Sean; Robertson, Larry W.","2,3,4'-Trichlorobiphenyl","Acta Crystallographica Section E","2001","57","2","o111","o112","10.1107/S1600536800021127","","","0.71073","MoKα","","0.0287","0.0261","","","","0.0539","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200201","12.78","0.003","16.931","0.003","7.8532","0.0016","90","","101.85","0.03","90","","1663","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-3-[4-(ethoxycarbonyl)-1-piperidyl]-1,4-naphthoquinone","","- C18 H18 Cl N O4 -","- C18 H18 Cl N O4 -","- C72 H72 Cl4 N4 O16 -","4","1","OB6020","Lynch, Daniel E.; McClenaghan, Ian; Coles, Simon J.","2-Chloro-3-[4-(ethoxycarbonyl)-1-piperidyl]-1,4-naphthoquinone","Acta Crystallographica Section E","2001","57","2","o125","o126","10.1107/S1600536801000708","","","0.71073","MoKα","","0.201","0.055","","","","0.154","","","","","","0.922","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200202","5.6592","0.0009","8.5549","0.0013","8.707","0.0014","87.454","0.003","85.36","0.003","85.004","0.003","418.27","0.11","293","2","","","","","","","","","","5","P -1","-P 1","2","","Diprotonated 3,6-di-2-pyridyl-1,2,4,5-tetrazine diperchlorate","","- C12 H10 Cl2 N6 O8 -","- C12 H10 Cl2 N6 O8 -","- C12 H10 Cl2 N6 O8 -","1","0.5","OB6021","Liu, He; Du, Miao; Bu, Xian-He","3,6-Di-2-pyridinio-1,2,4,5-tetrazine diperchlorate","Acta Crystallographica Section E","2001","57","2","o127","o128","10.1107/S1600536801000721","","","0.71073","MoKα","","","0.0371","","","","0.1165","","","","","","0.894","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200203","11.663","0.001","18.862","0.002","11.363","0.001","90","","94.882","0.006","90","","2490.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N O6 S2 -","- C25 H31 N O6 S2 -","- C100 H124 N4 O24 S8 -","4","1","OB6022","Mori, Akira; Kubo, Kanji; Yin, Bing Zhu; Takeshita, Hitoshi","18-Isopropyl-15-(4-nitrophenyl)-5,8,11-trioxa-2,14-dithiabicyclo[14.4.1]henicosa-1(20),16,18-trien-21-one","Acta Crystallographica Section E","2001","57","2","o129","o130","10.1107/S1600536801001027","","","0.71073","MoKα","","0.194","0.055","","","","0.167","","","","","","1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200204","7.663","0.001","9.693","0.001","12.877","0.001","86.56","0.01","78.56","0.01","76.3","0.02","910.71","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 Br O6 -","- C19 H17 Br O6 -","- C38 H34 Br2 O12 -","2","1","OB6023","Wallet, Jean-Claude; Espinosa, Enrique; Molins, Elies; Miravitlles, Carlos","2',6'-Dimethoxyflavone‒bromoacetic acid (1/1)","Acta Crystallographica Section E","2001","57","2","o174","o175","10.1107/S1600536801001295","","","0.71073","MoKα","","0.2508","0.0747","","","","0.2485","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200205","6.451","0.003","9.2109","0.0009","26.558","0.008","90","","90","","90","","1578.1","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5α-androst-3-en-one","","- C19 H28 O -","- C19 H28 O -","- C76 H112 O4 -","4","1","OB6025","Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.; Sá e Melo, M. L.; Campos Neves, A. S.","5α-Androst-3-en-17-one","Acta Crystallographica Section E","2001","57","2","o189","o191","10.1107/S1600536801001726","","","0.71073","MoKα","","0.0675","0.0402","","","","0.1094","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200206","14.539","0.001","14.55","0.001","17.85","0.001","90","","94.55","0.001","90","","3764.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ferrocenediylphosphinoplatinum","[Ferrocene-1,1'-diylbis(diphenylphosphine-P)](3,4-toluenethio)platinum(II) dichloromethane solvate","","- C42 H36 Cl2 Fe P2 Pt S2 -","- C42 H36 Cl2 Fe P2 Pt S2 -","- C168 H144 Cl8 Fe4 P8 Pt4 S8 -","4","1","OB6026","Bacsa, John; Darkwa, James; Maisela, Letladi L.","[Ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)](toluene-3,4-dithiolato)platinum(II) dichloromethane solvate","Acta Crystallographica Section E","2001","57","3","m109","m110","10.1107/S1600536801002264","","","0.71073","MoKα","","0.0873","0.0507","","","","0.1106","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200207","5.9247","0.0007","13.5925","0.0011","8.3407","0.0007","90","","95.452","0.008","90","","668.65","0.11","100","5","100","5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-chloro-6-nitroso-2-norbornene dimer or 1,2-bis(5-chloronorbornen-6-yl)diazene 1,2-dioxide","","- C14 H16 Cl2 N2 O2 -","- C14 H16 Cl2 N2 O2 -","- C28 H32 Cl4 N4 O4 -","2","0.5","OB6027","Milovac, Srdjan; Šimunić-Mežnarić, Vesna; Vančik, Hrvoj; Višnjevac, Aleksandar; Kojić-Prodić, Biserka","5-Chloro-6-nitroso-2-norbornene dimer as a motif for supramolecular assembly","Acta Crystallographica Section E","2001","57","3","o218","o219","10.1107/S160053680100232X","","","0.71069","MoKα","","0.0568","0.0304","","","","0.0828","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200208","8.554","0.003","9.201","0.003","17.036","0.005","74.903","0.005","78.792","0.005","69.739","0.005","1206.4","0.7","298","2","","","","","","","","","","6","P -1","-P 1","2","","Diazide[bis(2-pyridyl)amine] Co^III^ perchlorate","","- C20 H18 Cl Co N12 O4 -","- C20 H18 Cl Co N12 O4 -","- C40 H36 Cl2 Co2 N24 O8 -","2","1","OB6028","Du, Miao; Guo, Ya-Mei; Leng, Xue-Bing; Bu, Xian-He","Diazido[bis(2-pyridyl)amine-<i>N</i>,<i>N</i>']cobalt(III) perchlorate","Acta Crystallographica Section E","2001","57","3","m97","m99","10.1107/S160053680100263X","","","0.71073","MoKα","","","0.0451","","","","0.1205","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200209","10.9356","0.0002","11.9818","0.0002","12.4945","0.0003","104.888","0.001","93.268","0.001","113.402","0.001","1428.49","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')- lanthanum(III)]","","- C66 H46 La2 N4 O12 -","- C66 H46 La2 N4 O12 -","- C66 H46 La2 N4 O12 -","1","0.5","OB6029","Shi, Qian; Hu, Maolin; Cao, Rong; Liang, Yucang; Hong, Maochun","Tetra-μ-benzoato-<i>O</i>:<i>O</i>'-bis[(benzoato-<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')lanthanum(III)]","Acta Crystallographica Section E","2001","57","3","m122","m123","10.1107/S1600536801002963","","","0.71073","MoKα","","0.028","0.0237","","","","0.0597","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200210","7.38","0.006","13.515","0.006","28.189","0.014","90","","90","","90","","2812","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 B2 P2 -","- C28 H42 B2 P2 -","- C112 H168 B8 P8 -","4","1","OB6030","Lebel, Hélène; Berthod, Michael; Bélanger-Gariépy, Francine","(+)-(<i>RR</i>)-{μ-<i>m</i>-Phenylenedimethylenebis[<i>tert</i>-butyl(phenyl)phosphine]}bis(borane)","Acta Crystallographica Section E","2001","57","3","o282","o284","10.1107/S160053680100294X","","","1.54056","CuKα","","0.0388","0.0351","","0.0899","","0.0884","","","0.983","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200211","8.481","0.002","9.1928","0.0009","12.898","0.0014","90","","96.89","0.02","90","","998.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazinotetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-2,3-dihydro-1,3-dithia-4,7-diazaindene","","- C8 H4 N2 S4 -","- C8 H4 N2 S4 -","- C32 H16 N8 S16 -","4","1","OB6031","Tomura, Masaaki; Yamashita, Yoshiro","Tetrathiafulvalene with a fused pyrazine ring","Acta Crystallographica Section E","2001","57","4","o307","o308","10.1107/S1600536801003701","","","1.54178","CuKα","","0.2738","0.0794","","","","0.1984","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200212","14.231","0.008","15.663","0.0014","8.206","0.004","90","","103.044","0.008","90","","1781.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","0.5","OB6032","Hökelek, Tuncer; Kaya, Elif Ece; Kılıç, Zeynel","2,7-Dioxa-15,19-diazatricyclo[19,4,0,0^8,13^]pentacosa-8,10,12,21,23,25(1)-hexaene","Acta Crystallographica Section E","2001","57","4","o309","o311","10.1107/S1600536801003889","","","0.71073","MoKα","","0.0461","0.0362","","","","0.106","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200213","8.174","0.002","8.76","0.002","11.793","0.002","75.68","0.02","85.77","0.02","84.98","0.02","813.9","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-butylamino-2-chloroquinoline-3-carboxylate","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C32 H38 Cl2 N4 O4 -","2","1","OM6000","Baumer, Vyacheslav N.; Shishkin, Oleg V.; Ukrainets, Igor V.; Taran, Svetlana G.; Amin, Jaradat Nidal","Ethyl 4-butylamino-2-chloroquinoline-3-carboxylate","Acta Crystallographica Section E","2001","57","3","o254","o255","10.1107/S1600536801002276","","","0.71073","MoKα","","0.052","0.038","","","","0.072","","","","","","0.91","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200214","11.9992","0.0008","14.623","0.0009","15.0146","0.0013","75.182","0.003","89.959","0.003","89.793","0.002","2546.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H78 O11 Si8 -","- C41 H74 O11 Si8 -","- C82 H148 O22 Si16 -","2","1","OM6001","Arnold, Polly L.; Blake, Alexander J.","Selective reduction in ring size of silsesquioxane oligomers mediated by potassium metal","Acta Crystallographica Section E","2001","57","2","o131","o133","10.1107/S1600536801000745","","","0.71073","MoKα","","0.123","0.06","","","","0.163","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200215","15.3582","0.0015","11.6957","0.0012","14.8253","0.0012","90","","90","","90","","2663","0.4","153","2","153","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C25 H18.8 Ag F3 N4 O4.4 S -","- C25 H18 Ag F3 N4 O4.4 S -","- C100 H72 Ag4 F12 N16 O17.6 S4 -","4","0.5","OM6002","Vallina, Ana Tesouro; Stoeckli-Evans, Helen","<i>catena</i>-Poly[[silver(I)-μ-{bis[4-(2-pyridylmethyleneamino)phenyl] ether}] trifluoromethanesulfonate 0.4-hydrate]: a zigzag coordination polymer","Acta Crystallographica Section E","2001","57","2","m59","m61","10.1107/S1600536800020869","","","0.71073","MoKα","","0.124","0.042","","","","0.095","","","","","","0.74","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200216","7.9833","0.0006","14.6168","0.0008","18.744","0.002","107.18","0.005","96.514","0.005","99.57","0.005","2029.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C116 H84 N4 O8 -","4","2","OM6003","Senhaji, Fatima-Zahra; El-Bali, Brahim; Kerbal, Abdelali; Zenkouar, Mohammed; Tajdine, Janati; Bitit, Najib; Bolte, Michael","10-[2-(9-Anthryloxy)ethyl]-9-acridone","Acta Crystallographica Section E","2001","57","2","o134","o135","10.1107/S1600536801000782","","","0.71073","MoKα","","0.104","0.052","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200217","8.3141","0.0008","14.6625","0.0013","9.067","0.0009","90","","115.154","0.002","90","","1000.5","0.17","298","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H9 Co N9 O6 -","- C18 H9 Co N9 O6 -","- C36 H18 Co2 N18 O12 -","2","1","OM6006","Liu, He; Du, Miao; Ge, Xiao-Jing; Bu, Xian-He; Yang, Ming","A novel heptacoordinated cobalt(II) complex of 6,7-dicyanodipyridoquinoxaline (dcdpq): [Co(NO~3~)~2~(CH~3~CN)(dcdpq)]","Acta Crystallographica Section E","2001","57","3","m100","m102","10.1107/S1600536801002422","","","0.71073","MoKα","","","0.028","","","","0.07","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200218","7.5403","0.001","13.6498","0.0019","14.4042","0.0011","90","","101.958","0.008","90","","1450.4","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-diisopropyl-1-naphthamide","N,N-diisopropyl-1-naphthamide","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","OM6007","Bond, Andrew D.; Clayden, J.; Wheatley, Andrew E. H.","<i>N</i>,<i>N</i>-Diisopropyl-1-naphthamide","Acta Crystallographica Section E","2001","57","3","o292","o294","10.1107/S1600536801003580","","","0.71073","MoKα","","0.1025","0.0652","","","","0.1477","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200219","7.4432","0.0002","10.9094","0.0002","13.2137","0.0004","90","","90","","90","","1072.96","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(2-propynyloxy)-tricyclo[3.3.1.1^3,7^]decane","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","OM6008","Mague, Joel T.; Alworth, William L.; Foroozesh, Maryam","1-Adamantyl propargyl ether","Acta Crystallographica Section E","2001","57","3","o220","o221","10.1107/S1600536801002628","","","0.71073","MoKα","","0.05","0.039","","","","0.092","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200220","9.244","0.0018","19.239","0.004","10.682","0.002","90","","93.37","0.03","90","","1896.5","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O2 S2 -","- C20 H24 O2 S2 -","- C80 H96 O8 S8 -","4","1","OM6010","Kansikas, Jarno; Sipilä, Kaija","(1<i>S</i>*,2<i>R</i>*,2'<i>R</i>*)-2-Phenyl-1-phenylthio-1-(tetrahydropyran-2-ylthio)propan-2-ol at 193K","Acta Crystallographica Section E","2001","57","4","o335","o337","10.1107/S160053680100438X","","","0.71073","MoKα","","0.078","0.046","","","","0.1069","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200221","5.7702","0.0005","11.321","0.001","22.39","0.001","90","","91.47","0.01","90","","1462.13","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-(Cyclohexylmethyl)-6-(dimethylamino)-9H-purine","","- C14 H21 N5 -","- C14 H21 N5 -","- C56 H84 N20 -","4","1","OM6012","Kubicki, Maciej; Codding, Penelope W.","9-(Cyclohexylmethyl)-6-(dimethylamino)-9<i>H</i>-purine","Acta Crystallographica Section E","2001","57","4","o332","o334","10.1107/S1600536801004329","","","1.54178","CuKα","","0.074","0.0567","","","","0.1244","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200222","11.908","0.003","8.2396","0.0014","13.925","0.004","90","","103.14","0.03","90","","1330.5","0.6","180","2","180","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","2-(Toluene-4-sulfonylamino)benzoyl fluoride","","- C14 H12 F N O3 S -","- C14 H12 F N O3 S -","- C56 H48 F4 N4 O12 S4 -","4","1","TK6000","Ziemer, Burkhard; Surygina, Oxana; Ehwald, Max","2-(Toluene-4-sulfonylamino)benzoyl fluoride","Acta Crystallographica Section E","2001","57","2","o139","o140","10.1107/S1600536801001040","","","0.71073","MoKα","","0.037","0.03","","","","0.082","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200223","9.3725","0.0002","10.7012","0.0002","23.0919","0.0004","90","","90","","90","","2316.05","0.08","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-3-methoxy-3-methylsulfanylisothiochroman-4-one oxime","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C88 H104 N8 O16 S16 -","8","1","TK6001","Coustard, Jean-Marie; Le Toquin, Ronan; Leo, Roland; Paulus, Werner; Cousson, Alain","(<i>E</i>)-3-Methoxy-3-methylsulfanylisothiochroman-4-one oxime","Acta Crystallographica Section E","2001","57","3","o256","o257","10.1107/S1600536801002707","","","0.71073","MoKα","","","0.036","","","","0.043","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200224","9.6233","0.0009","10.2686","0.0008","16.272","0.002","90","","97.672","0.011","90","","1593.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tricarbonylbis(4-methyl-1,3-thiazole-2(3H)-thionato-N,S^2^)tungsten(II)","","- C11 H8 N2 O3 S4 W -","- C11 H8 N2 O3 S4 W -","- C44 H32 N8 O12 S16 W4 -","4","1","TK6003","Esterhuysen, Catharine; Kruger, Gert J.; Olivier, Denise K.; Raubenheimer, Helgard G.; Retief, Lizette; Cronje, Stephanie","Tricarbonylbis(4-methyl-1,3-thiazole-2(3<i>H</i>)-thionato-<i>N</i>,<i>S</i>^2^)tungsten(II)","Acta Crystallographica Section E","2001","57","2","m72","m74","10.1107/S1600536801001179","","","0.71073","MoKα","","0.048","0.036","","","","0.119","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200225","4.998","0.002","5.22","0.002","34.853","0.002","90","","92.04","0.02","90","","908.7","0.5","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,18-octadecanediol","","","- C18 H38 O2 -","- C18 H38 O2 -","- C36 H76 O4 -","2","0.5","TK6004","Nakamura, Naotake; Watanabe, Ryoji","Octadecane-1,18-diol","Acta Crystallographica Section E","2001","57","2","o136","o138","10.1107/S1600536801001052","","","1.5418","CuKα","","0.078","0.045","","0.072","","0.065","","","1.671","","","1.936","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200226","23.908","0.005","7.6861","0.0015","22.947","0.005","90","","114.31","0.03","90","","3842.8","1.7","150","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H58 N4 O -","- C46 H56 N4 O -","- C184 H224 N16 O4 -","4","0.5","TK6005","Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Paver, Michael A.","<i>meso</i>-Octacyclopropylcalix[4]pyrrole ethanol solvate","Acta Crystallographica Section E","2001","57","3","o258","o260","10.1107/S1600536801002719","","","0.71073","MoKα","","","0.088","","","","0.267","","","","","","1.575","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2200227","12.8585","0.0014","10.7092","0.0011","8.3657","0.0014","90","","103.052","0.011","90","","1122.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","TK6006","Kubo, Kanji; Tsuruta, Tetsuya; Mori, Akira","2-Butanoyloxy-5-nitrotropone","Acta Crystallographica Section E","2001","57","4","o326","o327","10.1107/S1600536801003749","","","0.71073","MoKα","","0.212","0.055","","","","0.168","","","","","","0.954","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200228","15.428","0.001","9.346","0.002","22.506","0.005","90","","90","","90","","3245.1","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate","","- C18 H15 Cl N2 O3 -","- C18 H15 Cl N2 O3 -","- C144 H120 Cl8 N16 O24 -","8","1","TK6008","Višnjevac, Aleksandar; Kojić-Prodić, Biserka","Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1<i>H</i>-1,4-benzodiazepine-3-carboxylate","Acta Crystallographica Section E","2001","57","4","o356","o357","10.1107/S1600536801004093","","","0.7107","MoKα","","0.392","0.075","","","","0.214","","","","","","0.835","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200229","7.4194","0.0012","19.044","0.003","46.943","0.007","90","","90","","90","","6632.8","1.8","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","Triaqua(1,10-phenanthroline-2,9-dicarboxylato)magnesium(II) dihydrate","","- C14 H16 Mg N2 O9 -","- C14 H12 Mg N2 O9 -","- C224 H192 Mg16 N32 O144 -","16","0.5","TK6009","Park, Ki-Min; Yoon, Il; Seo, Joobeom; Lee, Yoon Hee; Lee, Shim Sung","A magnesium(II) complex of 1,10-phenanthroline-2,9-dicarboxylate","Acta Crystallographica Section E","2001","57","4","m154","m156","10.1107/S1600536801004317","","","0.71073","MoKα","","0.085","0.055","","","","0.186","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200230","8.778","0.002","15.3778","0.0019","8.442","0.002","90","","113.59","0.018","90","","1044.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","TK6011","Kubo, Kanji; Tsujimoto, Teppei; Kato, Nobuo; Mori, Akira","2,3-Cyclohexanopyrrolo[2,3-<i>b</i>]tropone","Acta Crystallographica Section E","2001","57","4","o370","o371","10.1107/S1600536801005001","","","0.7107","MoKα","","0.257","0.062","","","","0.194","","","","","","0.939","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200231","7.969","0.001","9.111","0.001","13.076","0.002","94.34","0.01","96.83","0.01","115.16","0.01","844.8","0.2","288","2","288","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H40 Mn2 N12 O8 S4 -","- C16 H40 Mn2 N12 O8 S4 -","- C16 H40 Mn2 N12 O8 S4 -","1","0.5","WN6000","Liu, Qi; Li, Baolong; Sun, Xiaoqiang; Xu, Zheng; Yu, Kaibei","Diaquabis(hexamethylenetetramine-<i>N</i>)bis(isothiocyanato)manganese(II) tetraaquabis(isothiocyanato)manganese(II) dihydrate","Acta Crystallographica Section E","2001","57","4","m151","m153","10.1107/S1600536801004068","","","0.71073","MoKα","","0.0293","0.0236","","","","0.0622","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200232","7.17","0.002","10.241","0.003","10.729","0.003","77.25","0.03","74.89","0.03","73.47","0.03","719.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 N16 -","- C28 H32 N16 -","- C28 H32 N16 -","1","0.5","WN6001","Butler, Richard N.; McGinley, John M. G.; Mahon, Mary F.; Molloy, Kieran C.; NíBhrádaigh, Eithne P.","Diorthobenzenotetra(5',2'-tetrazolo)[5'-(2)-2'-(6)]cyclophane","Acta Crystallographica Section E","2001","57","2","o195","o197","10.1107/S1600536801001398","","","0.71069","MoKα","","0.0574","0.037","","0.1047","","0.0983","","","1.08","","","1.191","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200233","4.9745","0.0002","5.3035","0.0002","6.7548","0.0002","89.733","0.002","102.717","0.002","99.6012","0.0013","171.305","0.011","110","2","110","2","","","","","","","","5","P 1","P 1","1","Lithium orotate monohydrate","lithium 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate monohydrate","","- C5 H5 Li N2 O5 -","- C5 H5 Li N2 O5 -","- C5 H5 Li N2 O5 -","1","1","WN6002","Lutz, Martin","Lithium orotate monohydrate","Acta Crystallographica Section E","2001","57","3","m103","m105","10.1107/S1600536801002392","","","0.71073","MoKα","","0.0319","0.0298","","","","0.0789","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200234","7.6864","0.0005","9.5175","0.0003","18.348","0.0012","90","","90","","90","","1342.25","0.13","180","2","180","2","","","","","","","","3","C m c a","-C 2ac 2","64","Pentafluorobenzonitrile","Pentafluorobenzonitrile","","- C7 F5 N -","- C7 F5 N -","- C56 F40 N8 -","8","","WN6003","Bond, Andrew D.; Davies, John E.; Griffiths, Joanne; Rawson, Jeremy M.","Pentafluorobenzonitrile","Acta Crystallographica Section E","2001","57","3","o231","o233","10.1107/S1600536801002641","","","0.71073","MoKα","","0.044","0.0365","","0.1357","","0.1076","","","1.118","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200235","8.84","0.001","10.059","0.001","13.33","0.001","97.65","0.01","90.68","0.01","108.63","0.01","1111.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Br2 Cl12 N4 Si -","- C28 H34 Br2 Cl12 N4 Si -","- C28 H34 Br2 Cl12 N4 Si -","1","0.5","WN6005","Bolte, Michael; Faber, Alexander","Dihydridotetrakis(3-picoline)silicon dibromide chloroform tetrasolvate","Acta Crystallographica Section E","2001","57","3","o276","o278","10.1107/S1600536801003415","","","0.71073","MoKα","","0.1339","0.0926","","","","0.2682","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200236","11.6838","0.0009","9.922","0.0006","16.7493","0.0014","90","","90.542","0.006","90","","1941.6","0.2","297","1","297","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ferrocenylmethyl(chlorophenyl)benzimidazole","2-(3-Chlorophenyl)-1-ferrocenylmethyl-1H-1,3-benzimidazole","","- C24 H19 Cl Fe N2 -","- C24 H19 Cl Fe N2 -","- C96 H76 Cl4 Fe4 N8 -","4","1","WN6006","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua; Thomas, Jean-Luc","2-(3-Chlorophenyl)-1-ferrocenylmethyl-1<i>H</i>-1,3-benzimidazole: an electroactive agent for anion sensor and malarial parasite studies","Acta Crystallographica Section E","2001","57","4","m134","m136","10.1107/S1600536801003804","","","0.71073","MoKα","","0.058","0.041","","","","0.105","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200237","27.307","0.002","4.6228","0.0004","12.5888","0.0011","90","","90","","90","","1589.1","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-methylethyl 2-bromo-4-(N-phthalimido)butanoate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C60 H64 Br4 N4 O16 -","4","1","WN6007","Skakle, Janet M. S.; Smyth, Gregory; Wardell, Solange M. S. V.","Isopropyl 2-bromo-4-(<i>N</i>-phthalimido)butanoate","Acta Crystallographica Section E","2001","57","4","o300","o302","10.1107/S1600536801003816","","","0.71073","MoKα","","0.1485","0.0735","","","","0.196","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200238","6.7475","0.001","12.5446","0.0016","6.9788","0.0017","90","","116.43","0.014","90","","528.98","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Zn(1-aza-4-azinium-bicyclo[2.2.2]octane)trichloride","","- C6 H13 Cl3 N2 Zn -","- C6 H13 Cl3 N2 Zn -","- C12 H26 Cl6 N4 Zn2 -","2","1","WN6008","Wei, Mingyi; Willett, Roger D.","(1-Aza-4-aziniobicyclo[2.2.2]octane-<i>N</i>^1^)trichlorozinc(II)","Acta Crystallographica Section E","2001","57","4","m167","m168","10.1107/S1600536801004822","","","0.71073","MoKα","","0.0328","0.0312","","","","0.0773","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200239","11.307","0.001","9.475","0.001","14.919","0.002","90","","99.34","0.01","90","","1577.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-7,7-dimethyl-4-benzyl-5-oxo-4,5,6,8-tetrahydro-7H-chromene -3-carbornitrile","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","WN6009","Tu, Shu-Jiang; Deng, Xu; Fang, Ya-Yin; Guo, Ya-Mei; Du, Miao; Liu, Xiao-Hong","2-Amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section E","2001","57","4","o358","o359","10.1107/S1600536801004755","","","0.71073","MoKα","","0.0581","0.0381","","","","0.1023","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200240","8.901","0.003","21.075","0.004","22.721","0.005","90","","97.22","0.02","90","","4228.4","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","doxylamine hydrogensuccinate","Dimethylammoniumethoxy(methyl)benzylpyridine hydrogensuccinate","","- C21 H28 N2 O5 -","- C21 H28 N2 O5 -","- C168 H224 N16 O40 -","8","2","YA6001","Parvez, Masood; Dalrymple, Sean; Cote, Adrien","Doxylamine hydrogen succinate","Acta Crystallographica Section E","2001","57","2","o163","o165","10.1107/S160053680100085X","","","0.71069","MoKα","","0.284","0.067","","","","0.243","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200241","24.334","0.002","20.954","0.002","32.936","0.003","90","","104.706","0.002","90","","16244","3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bert*GaCl2.pyridine + 0.5C6H6","","","- C44 H57 Cl2 Ga N -","- C44 H57 Cl2 Ga N -","- C704 H912 Cl32 Ga16 N16 -","16","4","YA6002","Twamley, Brendan; Power, Philip P.","A donor‒acceptor adduct: sterically encumbered terphenyl dichloro[2,6-bis(2,4,6-triisopropylphenyl)phenyl]dichloro(pyridine)gallium benzene hemisolvate","Acta Crystallographica Section E","2001","57","2","m88","m91","10.1107/S1600536801001787","","","0.71073","MoKα","","0.189","0.078","","","","0.228","","","","","","1.13","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200242","11.5695","0.001","8.568","0.003","12.976","0.002","81.58","0.02","104.804","0.01","96.85","0.02","1225.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Na(DB18C6)]~2~[Pd(SCN)~4~]","bis[(dibenzo-18-crown-6)sodium] palladium(II)tetrathiocyanate","","- C44 H48 N4 Na2 O12 Pd S4 -","- C44 H48 N4 Na2 O12 Pd S4 -","- C44 H48 N4 Na2 O12 Pd S4 -","1","0.5","YA6003","Yong, Wei; Dou, Jian-Min; Zhu, De-Zhong; Liu, Ying; Li, Xue; Zheng, Pei-Ju; bis[(dibenzo-18-crown-6)sodium] palladium(II)tetrathiocyanate","Cation‒π interactions in [Na(dibenzo-18-crown-6)]~2~[Pd(SCN)~4~]","Acta Crystallographica Section E","2001","57","3","m127","m129","10.1107/S1600536801001416","","","0.71073","MoKα","","0.061","0.028","","","","0.08","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200243","5.729","0.001","10.079","0.002","19.622","0.004","90","","90","","90","","1133","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,5R,8S)-8-benzyloxy-2,6-dioxabicyclo[3.2.1]octane-3-one","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","YA6004","Koman, Marian; Babjak Matej; Gracza Tibor; Glowiak Tadeusz","Absolute configuration of the newly formed asymmetric centre in (1<i>R</i>,5<i>R</i>,8<i>S</i>)-8-benzyloxy-2,6-dioxabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2001","57","4","o360","o361","10.1107/S1600536801004196","","","1.5418","CuKα","","0.043","0.033","","0.091","","0.088","","","1.09","","","1.13","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200244","11.8068","0.0004","23.3389","0.0009","12.365","0.0005","90","","111.537","0.001","90","","3169.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Chloro(methyl)bis(triphenylphosphine)palladium(II)","","- C37 H33 Cl P2 Pd -","- C37 H33 Cl P2 Pd -","- C148 H132 Cl4 P8 Pd4 -","4","1","YA6005","Otto, Stefanus","<i>trans</i>-Chloro(methyl)bis(triphenylphosphine)palladium(II)","Acta Crystallographica Section E","2001","57","2","m75","m77","10.1107/S1600536801000848","","","0.71073","MoKα","","0.121","0.038","","","","0.071","","","","","","0.85","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200245","5.126","0.0002","8.565","0.0004","18.754","0.0009","90","","91.996","0.003","90","","822.88","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-O-Succinimidyl N-[2-(tert-butoxycarbonylamino)propyl]carbamate","","- C13 H21 N3 O6 -","- C13 H21 N3 O6 -","- C26 H42 N6 O12 -","2","1","YA6006","Menschise, Valeria; Didierjean, Claude; Semetey, Vincent; Guichard, Gilles; Briand, Jean-Paul; Aubry, Andre","(<i>S</i>)-<i>O</i>-Succinimidyl <i>N</i>-[2-(<i>tert</i>-butoxycarbonylamino)propyl]carbamate","Acta Crystallographica Section E","2001","57","3","o222","o224","10.1107/S1600536801002410","","","0.7107","MoKα","","0.053","0.037","","","","0.097","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200246","19.7328","0.0009","9.1088","0.0004","13.3636","0.0006","90","","117.884","0.001","90","","2123.12","0.17","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[[diaquacadmium(II)]-μ^3^-(1-carboxybenzene-3,5-dicarboxylato- O^1^:O^3^,O^3'^:O^5^,O^5'^)]","","- C9 H8 Cd O8 -","- C9 H8 Cd O8 -","- C72 H64 Cd8 O64 -","8","1","YA6007","Skakle, J. M. S.; Foreman, M. R. St J.; Plater, M. J.; Griffin, C.","Poly[[diaquacadmium(II)]-μ^3^-(1-carboxybenzene-3,5-dicarboxylato)]","Acta Crystallographica Section E","2001","57","2","m85","m87","10.1107/S160053680100188X","","","0.71073","MoKα","","0.036","0.028","","","","0.071","","","","","","0.97","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200247","7.6119","0.0005","8.846","0.0004","15.611","0.001","90","","101.321","0.005","90","","1030.71","0.11","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-ethyldithiophthalimide","","- C10 H9 N S2 -","- C10 H9 N S2 -","- C40 H36 N4 S8 -","4","1","YA6008","Meden, Anton; Huskić, Miroslav; Bele, Marjan","<i>N</i>-Ethyldithiophthalimide, the first structure of a dithiophthalimide derivative","Acta Crystallographica Section E","2001","57","4","o303","o304","10.1107/S1600536801003828","","","0.71073","MoKα","","0.062","0.045","","0.055","","0.048","","","0.595","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200248","14.2145","0.001","7.7681","0.0005","10.3928","0.0006","90","","101.98","0.005","90","","1122.58","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Phenylpyrrolo[2,3-b]tropone","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","YA6009","Kubo, Kanji; Tsujimoto, Teppei; Mori, Akira","3-Phenylpyrrolo[2,3-<i>b</i>]tropone","Acta Crystallographica Section E","2001","57","3","o225","o227","10.1107/S1600536801002021","","","0.71073","MoKα","","0.074","0.042","","","","0.116","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200249","24.698","0.004","7.106","0.001","18.538","0.002","90","","99.59","0.01","90","","3208","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[2(Fopygu.2HCl)][trans-Ni(H2O)4Cl2]*4H2O","Bis(2-pyridiniomethyleneaminoguanidinium) trans-tetraaquadichloronickel(II) dichloride tetrahydrate","","- C14 H38 Cl6 N10 Ni O8 -","- C14 H38 Cl6 N10 Ni O8 -","- C56 H152 Cl24 N40 Ni4 O32 -","4","0.5","YA6010","Valdés-Martínez, Jesús; Alstrum-Acevedo, James H.; Toscano, Rubén A.; Espinosa-Pérez, Georgina; Helfrich, Brian A.; West, Douglas X.","Bis(2-pyridiniomethyleneaminoguanidinium) <i>trans</i>-tetraaquadichloronickel(II) dichloride tetrahydrate","Acta Crystallographica Section E","2001","57","4","m137","m139","10.1107/S1600536801003725","","","0.71073","MoKα","","0.097","0.044","","","","0.142","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200250","10.754","0.0004","13.9616","0.0005","8.9464","0.0004","90","","104.946","0.0012","90","","1297.8","0.09","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Amino-5-hexyloxytropone","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","YA6011","Yamamoto, Emi; Kubo, Kanji; Kato, Nobuo; Mori, Akira","2-Amino-5-hexyloxytropone","Acta Crystallographica Section E","2001","57","3","o279","o281","10.1107/S1600536801003294","","","0.71073","MoKα","","0.165","0.071","","","","0.244","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200251","5.0414","0.0004","18.878","0.002","8.6814","0.0011","90","","99.349","0.007","90","","815.25","0.15","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Co(MTT)2(MeOH)2","Bis[3-hydroxy-4-methylthiazole-2(3H)-thiolato-S^2^,O]bis(methanol-O)- cobalt(II)","","- C10 H16 Co N2 O4 S4 -","- C10 H16 Co N2 O4 S4 -","- C20 H32 Co2 N4 O8 S8 -","2","0.5","YA6012","Bond, Andrew D.; Jones, William","Bis[3-hydroxy-4-methyl-2(3<i>H</i>)-thiazolethiolato-<i>S</i>^2^,<i>O</i>]bis(methanol-<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2001","57","4","m140","m142","10.1107/S1600536801003737","","","0.71073","MoKα","","0.054","0.034","","","","0.078","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200252","15.4466","0.0007","16.6228","0.0008","13.5016","0.0006","90","","90","","90","","3466.7","0.3","297","2","297","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","tris(acetylacetonato)-vanadium(III) (alpha form)","Tris(2,4-pentanedionato-O,O')-vanadium(III) (alpha form)","","- C15 H21 O6 V -","- C15 H21 O6 V -","- C120 H168 O48 V8 -","8","1","YA6013","Filgueiras, Carlos A. L.; Horn Jr, Adolfo; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","α-Form of tris(2,4-pentanedionato-<i>O</i>,<i>O</i>')vanadium(III), re-refinement against new intensity data","Acta Crystallographica Section E","2001","57","4","m157","m158","10.1107/S1600536801004391","","","0.71073","MoKα","","0.126","0.044","","","","0.139","","","","","","0.94","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200253","16.138","0.0013","7.2682","0.0006","18.0257","0.0015","90","","104.344","0.002","90","","2048.4","0.3","298","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-bis(2-pyridinio)-5,8-dimethoxyquinoxaline dinitrate","","- C20 H18 N6 O8 -","- C20 H18 N6 O8 -","- C80 H72 N24 O32 -","4","1","YA6015","He Liu; Miao Du; Ya-Mei Guo; Xian-He Bu","2,3-Bis(2-pyridinio)-5,8-dimethoxyquinoxaline dinitrate","Acta Crystallographica Section E","2001","57","4","o372","o374","10.1107/S1600536801004834","","","0.71073","MoKα","","","0.042","","","","0.11","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200254","8.927","0.001","10.2311","0.0009","9.776","0.002","90","","106.04","0.02","90","","858.1","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","YA6016","Avery, Thomas D.; Taylor, Dennis K.; Tiekink, Edward R. T.","(±)-(3a<i>R</i>,4<i>R</i>,4a<i>S</i>)-4-Phenyl-3,3a,4,4a-tetrahydro-1<i>H</i>-cyclopropa[<i>c</i>]furan-1-one","Acta Crystallographica Section E","2001","57","4","o375","o376","10.1107/S1600536801004998","","","0.71073","MoKα","","0.088","0.039","","","","0.144","","","","","","0.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200255","10.838","0.004","10.838","0.004","8.41","0.003","90","","90","","120","","855.5","0.5","150","2","150","2","","","","","","","","3","P 63 m c","P 6c -2c","186","barium oxide iodide","","","- Ba4 I6 O -","- Ba4 I6 O -","- Ba8 I12 O2 -","2","0.166667","BR6008","Marten G. Barker; Francesconi, M. Grazia; Claire Wilson","Barium oxide iodide","Acta Crystallographica Section E","2001","57","6","i41","i43","10.1107/S1600536801006614","","","0.71069","MoKα","","0.0245","0.0223","","","","0.0506","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200256","10.747","0.001","10.747","0.001","7.8678","0.0009","90","","90","","120","","787","0.3","150","2","150","2","","","","","","","","3","P 63 m c","P 6c -2c","186","strontium oxide iodide","","","- I6 O Sr4 -","- I6 O Sr4 -","- I12 O2 Sr8 -","2","0.166667","","Barker, Marten G.; Francesconi, M. Grazia; Shutt, Thomas H.; Wilson, Claire","Strontium oxide iodide","Acta Crystallographica, Section E: Structure Reports Online","2001","57","6","i44","i45","10.1107/s1600536801006626","","","","","","","","","","","","","","","","","","","","","has coordinates","210325","2020-10-21","18:00:00",""
"2200257","9.338","0.0002","9.338","0.0002","12.817","0.0003","90","","90","","120","","967.89","0.04","293","2","293","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C3 Na4 O11 U -","- C3 Na4 O11 U -","- C12 Na16 O44 U4 -","4","0.333333","","Císařová, Ivana; Skála, Roman; Ondruš, Petr; Drábek, Milan","Trigonal Na~4~[UO~2~(CO~3~)~3~]","Acta Crystallographica, Section E","2001","57","","i32","i34","10.1107/S1600536801005992","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2200258","26.1127","0.0018","10.1535","0.0006","14.6165","0.0009","90","","92.367","0.007","90","","3872","0.4","293","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Ba Cr2 N4 O22 -","- C32 H28 Ba Cr2 N4 O22 -","- C128 H112 Ba4 Cr8 N16 O88 -","4","0.5","BR6013","Larsson, Krister","Infinite chain of [Ba{Cr(ox)~2~(phen)}~2~]~<i>n~</i>","Acta Crystallographica Section E","2001","57","5","m195","m197","10.1107/S1600536801005931","","","0.71073","MoKα","","","0.044","","","","0.1254","","","","","","1.005","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2200259","7.4116","0.0004","7.6542","0.0003","9.4486","0.0006","90","","112.194","0.005","90","","496.3","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ni3 O14 P4 Sr -","- Ni3 O14 P4 Sr -","- Ni6 O28 P8 Sr2 -","2","0.5","","Bolte, Michael","SrNi~3~(P~2~O~7~)~2~","Acta Crystallographica, Section E","2001","57","","i30","i31","10.1107/S1600536801005700","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200260","6.8","0.0007","8.6443","0.0008","8.9244","0.0009","84.512","0.01","79.866","0.009","77.834","0.009","503.87","0.09","291","1","291","1","","","","","","","","6","P -1","-P 1","2","","Diaquadichloride-Bis(2,4'-Bipyridyl) Manganese(II)","","- C20 H20 Cl2 Mn N4 O2 -","- C20 H20 Cl2 Mn N4 O2 -","- C20 H20 Cl2 Mn N4 O2 -","1","0.5","BR6016","Kruszynski, Rafal; Bartczak, Tadeusz J.; Adamczyk, Anna; Czakis-Sulikowska, Danuta; Kałużna, Joanna; .","Diaquabis(2,4'-bipyridyl-<i>N</i>')dichloromanganese(II)","Acta Crystallographica Section E","2001","57","5","m183","m185","10.1107/S1600536801005840","","","0.71073","MoKα","","0.0625","0.0616","","","","0.1627","","","","","","1.185","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200261","6.1121","0.0005","6.1121","0.0005","11.42","0.0014","90","","90","","120","","369.47","0.06","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Er Mn O3 -","- Er Mn O3 -","- Er6 Mn6 O18 -","6","0.5","","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M.","Hexagonal ErMnO~3~","Acta Crystallographica, Section E","2001","57","","i38","i40","10.1107/S160053680100811X","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200262","5.101","0.001","20.098","0.004","10.461","0.002","90","","90.31","0.03","90","","1072.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (4-formyl-2-methoxycarbonyl-1-pyrrolyl)acetate","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","BT6023","Ján Lokaj; Viktor Kettmann; Viktor Milata; Jarmila Štetinová; Ognyan Petrov","Methyl (4-formyl-2-methoxycarbonylpyrrol-1-yl)acetate","Acta Crystallographica Section E","2001","57","5","o404","o405","10.1107/S1600536801005645","","","0.71073","MoKα","","0.092","0.0581","","0.1184","","0.1057","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200263","8.728","0.003","12.087","0.004","8.672","0.003","108.22","0.03","113.43","0.02","91.24","0.03","786.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","dioxypyrido[2,3-d]pyrimidine","7-(4-bromophenyl)-5-cyanomethyl-1,3-dimethyl-2,4-dioxypyrido[2,3-d]pyrimidine","","- C17 H13 Br N4 O2 -","- C17 H13 Br N4 O2 -","- C34 H26 Br2 N8 O4 -","2","1","BT6027","Sarkhel, Sanjay; Srivastava, Prativa; Saxena, Abhishek S.; Ram, Vishnu J.; Prasad Onkar; Shiro, Motoo; Maulik, Prakas R.","7-(4-Bromophenyl)-5-cyanomethyl-1,3-dimethylpyrido[2,3-<i>d</i>]pyrimidine-2,4-dione","Acta Crystallographica Section E","2001","57","5","o408","o410","10.1107/S1600536801004986","","","0.71073","MoKα","","0.099","0.0426","","0.1565","","0.12","","","1.026","","","1.076","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200264","15.061","0.005","6.2184","0.0019","13.908","0.004","90","","114.398","0.005","90","","1186.2","0.6","298","2","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","2,3,7,8-Tetrakis(2-pyridyl)pyrazino-[2,3-g]quinoxaline","","- C30 H18 N8 -","- C30 H18 N8 -","- C60 H36 N16 -","2","0.5","BT6028","Fang, Ya-Yin; Guo, Ya-Mei; Du, Miao; Liu, He; Leng, Xue-Bing; Zhang, Ruo-Hua","2,3,7,8-Tetrakis(2-pyridyl)pyrazino[2,3-<i>g</i>]quinoxaline","Acta Crystallographica Section E","2001","57","5","o380","o382","10.1107/S1600536801005153","","","0.71073","MoKα","","","0.0406","","","","0.1036","","","","","","0.935","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200265","14.125","0.003","14.118","0.003","10.719","0.002","90","","90","","90","","2137.5","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine- 1,8-dione","","- C23 H26 Cl N O2 -","- C23 H26 Cl N O2 -","- C92 H104 Cl4 N4 O8 -","4","1","BT6029","Tu, Shu-Jiang; Deng, Xu; Du, Miao; Fang, Ya-Yin; Guo, Ya-Mei; Liu, Xiao-Hong","9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2001","57","5","o383","o385","10.1107/S1600536801005189","","","0.71073","MoKα","","0.092","0.0507","","","","0.2076","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200266","6.4808","0.0007","9.9636","0.0009","12.2753","0.0011","91.6","0.009","101.048","0.01","106.114","0.012","744.62","0.14","291","1","291","1","","","","","","","","5","P -1","-P 1","2","5-morpholinemethyl-3-(4-fluoridebenzylideamin)-2-oxazolidinone","4-{3-[(4-Fluorobenzylidene)amino]-2-oxo-1,3-oxazolidin-5-ylmethyl}morpholine","","- C15 H18 F N3 O3 -","- C15 H18 F N3 O3 -","- C30 H36 F2 N6 O6 -","2","1","BT6030","Kruszynski, Rafal; Bartczak, Tadeusz J.; Chilmonczyk, Zdzislaw; Cybulski, Jacek","4-{3-[(4-Fluorobenzylidene)amino]-2-oxo-1,3-oxazolidin-5-ylmethyl}morpholine","Acta Crystallographica Section E","2001","57","5","o386","o388","10.1107/S1600536801005487","","","0.71073","MoKα","","0.0956","0.0752","","","","0.177","","","","","","1.202","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200267","8.7369","0.0008","15.741","0.003","13.3967","0.0012","90","","103.833","0.008","90","","1789","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N4 O4 S4 -","- C12 H16 N4 O4 S4 -","- C48 H64 N16 O16 S16 -","4","0.5","BT6031","Cho, Nam Sook; Hong, Soon Il; Kim, Jin-Gyu; Suh, Il-Hwan","1,5-[5,5'-(3-Oxa-1,5-pentylenedithio)bis(2,3-dihydro-2-oxo-1,3,4-thiadiazol-3-yl)]-3-oxapentane","Acta Crystallographica Section E","2001","57","5","o434","o435","10.1107/S1600536801006250","","","0.71069","MoKα","","0.0521","0.0351","","","","0.0885","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200268","10.7902","0.0006","11.7031","0.0006","16.1857","0.0009","90","","90","","90","","2043.91","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(2,2'-bipyridine-N,N')-dicyano-iron(III) nitrate","","- C22 H16 Fe N7 O3 -","- C22 H16 Fe N7 O3 -","- C88 H64 Fe4 N28 O12 -","4","1","BT6032","Damgaard Poulsen, Rasmus; Hazell, Alan","Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')dicyanoiron(III) nitrate","Acta Crystallographica Section E","2001","57","5","m186","m187","10.1107/S1600536801005918","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","1.203","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200269","9.274","0.002","9.641","0.001","20.746","0.003","90","","94.17","0.02","90","","1850","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diethyl-N,N'-diphenyl-3-oxapentanediamide","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","BT6033","Zhang, Yan-Ling; Wang, Ya-Wen; Li, Yi-Zhi; Liu, Wei-Sheng; Yu, Kai-Bei; Wang, Liu-Fang","<i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenyl-3-oxapentanediamide","Acta Crystallographica Section E","2001","57","6","o483","o484","10.1107/S1600536801006274","","","0.71073","MoKα","","0.0569","0.0452","","","","0.089","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200270","7.1501","0.0014","13.185","0.003","8.4979","0.0017","90","","106.45","0.03","90","","768.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RhCl~2~(Cp^*^)(pyridine)","Dichloro(η^5^-pentamethylcyclopentadienyl)(pyridine-N)rhodium","","- C15 H20 Cl2 N Rh -","- C15 H20 Cl2 N Rh -","- C30 H40 Cl4 N2 Rh2 -","2","0.5","BT6035","Therrien, Bruno; Burrell, Anthony K.","Dichloro(η^5^-pentamethylcyclopentadienyl)(pyridine-<i>N</i>)rhodium","Acta Crystallographica Section E","2001","57","6","m259","m260","10.1107/S160053680100736X","","","0.71073","MoKα","","0.0179","0.0165","","","","0.0456","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200271","9.139","0.002","11.083","0.002","16.411","0.003","90","","95.838","0.002","90","","1653.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N-dimethylphosphoramidic acid bis(4-nitrophenyl) ester","","- C14 H14 N3 O7 P -","- C14 H14 N3 O7 P -","- C56 H56 N12 O28 P4 -","4","1","BT6036","Gholivand, Khodayar; Tadjarodi, Azadeh; Taeb, Abbas; Garivani, Gholamhossein; Ng, Seik Weng","Bis(4-nitrophenyl) <i>N</i>,<i>N</i>-dimethylphosphoramidate","Acta Crystallographica Section E","2001","57","5","o472","o473","10.1107/S1600536801006766","","","0.71073","MoKα","","0.0989","0.0456","","","","0.1344","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200272","7.55","0.002","13.66","0.003","12.85","0.003","90","","102.9","0.03","90","","1291.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaquatris[tetraoxorhenio(VII)]neodymium(III)","","- H6 Nd O15 Re3 -","- H6 Nd O15 Re3 -","- H24 Nd4 O60 Re12 -","4","1","BT6037","Guido J. Reiß","Triaquatris[tetraoxorhenato(VII)]neodymium(III)","Acta Crystallographica Section E","2001","57","5","i35","i37","10.1107/S1600536801006869","","","0.71073","MoKα","","0.0293","0.0238","","","","0.0546","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200273","7.5693","0.0007","9.562","0.0009","11.3908","0.0011","79.203","0.002","76.735","0.002","77.514","0.002","775.19","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4,6-Dimethyl-2-(o-tolyliminomethyl)quinoline","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","1","BT6038","Mehmet Akkurt; Sema Öztürk; Feray Aydog̃an","4,6-Dimethyl-2-(<i>o</i>-tolyliminomethyl)quinoline","Acta Crystallographica Section E","2001","57","5","o454","o455","10.1107/S1600536801006705","","","0.71073","MoKα","","0.1446","0.0731","","0.2363","0.1868","","","","1.018","1.162","1.162","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200274","9.1639","0.0002","9.973","0.0002","11.1913","0.0002","90","","90","","90","","1022.79","0.04","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- Mo7.7 Nd O14 -","- Mo7.698 Nd O14 -","- Mo30.792 Nd4 O56 -","4","","BT6039","Barrier, N.; Gougeon, P.","NdMo~7.7~O~14~ containing Mo~6~, Mo~7~ and Mo~8~ clusters","Acta Crystallographica Section E","2001","57","6","i46","i48","10.1107/S1600536801007103","","","0.7107","MoKα","","0.0391","0.0355","","","","0.084","","","","","","1.107","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200275","14.1406","0.0001","15.2215","0.0001","17.8879","0.0002","90","","90","","90","","3850.21","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α,α-trehalose octaacetate ethyl acetate solvate","2,3,4,6-tetra-O-acetyl-1-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl) -α-D-glucopyranose ethyl acetate solvate","","- C32 H46 O21 -","- C32 H46 O21 -","- C128 H184 O84 -","4","1","BT6040","Thomas C. Baddeley; Simon M. Clow; Philip J. Cox; Anna M. McLaughlin; James L. Wardell","α,α-Trehalose octaacetate ethyl acetate solvate","Acta Crystallographica Section E","2001","57","5","o456","o457","10.1107/S1600536801006857","","","0.71073","MoKα","","0.0787","0.0396","","","","0.0958","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200276","12.011","0.003","20.234","0.004","8.625","0.002","90","","90.35","0.01","90","","2096.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Diiodobis(triphenylphosphine)palladium(II) bis(tetrahydrofuran) solvate","","- C44 H46 I2 O2 P2 Pd -","- C44 H46 I2 O2 P2 Pd -","- C88 H92 I4 O4 P4 Pd2 -","2","0.5","BT6043","Batsanov, Andrei S.; Howard, Judith A. K.; Robertson, Graham S.; Kilner, Melvin","<i>trans</i>-Diiodobis(triphenylphosphine)palladium(II) bis(tetrahydrofuran) solvate","Acta Crystallographica Section E","2001","57","6","m233","m234","10.1107/S1600536801007541","","","0.71073","MoKα","","0.0518","0.0361","","","","0.073","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200277","9.465","0.001","19.821","0.001","14.208","0.001","90","","105.51","0.01","90","","2568.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,2-bis(diphenylphosphino)ethane-P,P]diiodopalladium(II)","","- C26 H24 I2 P2 Pd -","- C26 H24 I2 P2 Pd -","- C104 H96 I8 P8 Pd4 -","4","1","BT6044","Batsanov, Andrei S.; Howard, Judith A. K.; Robertson, Graham S.; Kilner, Melvin","Solvent-free [1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']diiodopalladium(II)","Acta Crystallographica Section E","2001","57","6","m235","m236","10.1107/S1600536801007589","","","0.71073","MoKα","","0.0617","0.0405","","","","0.0803","","","","","","1.157","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200278","10.294","0.006","12.102","0.005","12.23","0.006","69.86","0.02","86.58","0.02","66.39","0.02","1305.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-diphenylphosphido)bis{trans-tricarbonylbis[1-(4- ethoxybutoxy)pentylidene]rhenium}","","- C52 H64 O10 P2 Re2 -","- C52 H64 O10 P2 Re2 -","- C52 H64 O10 P2 Re2 -","1","0.5","BT6046","Flörke, Ulrich; Petters, Dina","Bis(μ-diphenylphosphido)bis{<i>trans</i>-tricarbonylbis[1-(4-ethoxybutoxy)pentylidene]rhenium}","Acta Crystallographica Section E","2001","57","6","m237","m238","10.1107/S1600536801007826","","","0.71073","MoKα","","0.0367","0.0281","","","","0.0656","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200279","14.1286","0.0012","5.8874","0.0007","8.8335","0.0009","90","","94.321","0.008","90","","732.69","0.13","291","2","291","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-Methylbut-2-enyl)ammonium chloride","","- C5 H12 Cl N -","- C5 H12 Cl N -","- C20 H48 Cl4 N4 -","4","1","BT6048","Kruszynski, Rafal; Czestkowski Wojciech; .","(3-Methylbut-2-enyl)ammonium chloride","Acta Crystallographica Section E","2001","57","6","o516","o518","10.1107/S1600536801008108","","","0.71073","MoKα","","0.0495","0.049","","","","0.1386","","","","","","1.183","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200280","9.9015","0.0012","9.9015","0.0012","13.4199","0.0016","90","","90","","90","","1315.7","0.3","298","","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","propane-1,3-diammonium bis(zinc phosphate)","","- C1.875 H7.5 N1.25 O5 P1.25 Zn1.25 -","- O4 P Zn -","- O40 P10 Zn10 -","10","1.25","BT6049","Harrison, William T. A.","[H~3~N(CH~2~)~3~NH~3~]~0.5~[ZnPO~4~], an organically templated zincophosphate analogue of the aluminosilicate zeolite edingtonite","Acta Crystallographica Section E","2001","57","6","m248","m250","10.1107/S1600536801008327","","","0.71073","MoKα","","0.1","0.085","","","","0.222","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200281","9.4224","0.0002","5.0947","0.0001","21.551","0.0007","90","","94.895","0.0009","90","","1030.77","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-benzyl-L-cysteine","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","2","BT6050","Troup, Susan D.; Ward, Mark F.; Jaspars, Marcel; Harrison, William T. A.","<i>S</i>-Benzyl-<small>L</small>-cysteine","Acta Crystallographica Section E","2001","57","6","o535","o537","10.1107/S1600536801008340","","","0.71073","MoKα","","0.095","0.062","","","","0.16","","","","","","0.994","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200282","11.698","0.002","11.698","0.002","19.643","0.015","90","","90","","90","","2688","2","293","","","","","","","","","","","4","P 41","P 4w","76","Methyl 1-{N-[N-(benzyloxycarbonyl)-α-aminoisobutyryl]-α-aminoisobutyryl}- 4-hydroxypyrrolidine-2-carboxylate ethanol solvate","","","- C24 H37 N3 O8 -","- C24 H37 N3 O8 -","- C96 H148 N12 O32 -","4","1","CF6053","Geßmann, Renate; Brückner, Hans; Kokkinidis, Michael","Tripeptide Z‒Aib‒Aib‒Hyp‒OMe","Acta Crystallographica Section E","2001","57","6","o492","o494","10.1107/S1600536801007371","","","1.54178","CuKα","","0.0985","0.0777","","","","0.211","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2200283","9.809","0.001","13.978","0.005","18.73","0.002","90","","90","","90","","2568.1","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O7 -","- C25 H37 N O7 -","- C100 H148 N4 O28 -","4","1","CF6056","Coutrot, Frédéric; Grison, Claude; Coutrot, Philippe; Toupet, Loic","Isopropyl 6,7-dideoxy-1,2:3,4-di-<i>O</i>-isopropylidene-7-{[(<i>S</i>)-1-phenylethyl]amino}-<small>L</small>-<i>glycero</i>-α-<small>D</small>-<i>galacto</i>-octopyranuronate","Acta Crystallographica Section E","2001","57","6","o519","o520","10.1107/S1600536801006481","","","0.71069","MoKα","","0.1313","0.047","","","","0.1252","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200284","16.0658","0.0009","3.9597","0.0002","21.473","0.001","90","","90.619","0.006","90","","1365.94","0.12","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Carboxyphenyl)amino]-4-chlorobenzoic acid monohydrate","","- C14 H12 Cl N O5 -","- C14 H12 Cl N O5 -","- C56 H48 Cl4 N4 O20 -","4","1","CF6058","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet","2-[(4-Carboxyphenyl)amino]-4-chlorobenzoic acid monohydrate","Acta Crystallographica Section E","2001","57","6","o542","o543","10.1107/S160053680100650X","","","1.5418","CuKα","","0.0649","0.05","","0.1527","","0.1527","","","1.126","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200285","10.516","0.001","11.381","0.002","14.558","0.003","87.23","0.02","79.73","0.01","88.54","0.01","1712.2","0.5","293","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Cu2 I2 N4 O4 Pb -","- C35 H34 Cu2 I2 N4 O4 Pb -","- C70 H68 Cu4 I4 N8 O8 Pb2 -","2","1","CF6059","Sarı, Musa; Durmus̨, Sefa; Atakol, Orhan; Svaboda, Ingrid; Fuess, Harmut","Bis[μ-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminecopper(II)]diiodolead(II)","Acta Crystallographica Section E","2001","57","5","m201","m203","10.1107/S1600536801006511","","","0.71073","MoKα","","","0.0403","","","","0.1004","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200286","14.578","0.003","12.009","0.002","15.849","0.003","90","","103.67","0.03","90","","2696","0.9","150","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Cl2 Sb2 -","- C29 H28 Cl2 Sb2 -","- C116 H112 Cl8 Sb8 -","4","0.5","CF6060","Coles, Simon J.; Hursthouse, Michael B.; Joy, Jon S.; Paver, Michael A.","[2,2-Bis(chloromethyl)propylene]bis(diphenylstibine)","Acta Crystallographica Section E","2001","57","6","m261","m262","10.1107/S1600536801006523","","","0.71073","MoKα","","","0.0255","","","","0.0628","","","","","","1.065","","","","has coordinates,has Fobs","198632","2020-10-21","18:00:00",""
"2200287","7.783","0.003","7.8653","0.001","25.61","0.003","90","","90","","90","","1567.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-(3-cyano-coumarin-4-yl)-1-(4-methylthiophenyl)ethene","4-[2-(4-Methylthiophenyl)ethenyl]-2-oxo-2H-1-benzopyran-3-carbonitrile","","- C19 H13 N O2 S -","- C19 H13 N O2 S -","- C76 H52 N4 O8 S4 -","4","1","CI6015","Vijayalakshmi, L.; Parthasarathi, V.; Varu, Bharat; Shah, Anamik","3-Cyano-4-[2-(4-methylthiophenyl)ethenyl]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section E","2001","57","5","o436","o438","10.1107/S1600536801005852","","","1.5418","CuKα","","0.032","0.03","","","","0.086","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200288","20.212","0.01","11.111","0.008","19.362","0.014","90","","96.53","0.13","90","","4320","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 N2 O4 Ru2 -","- C50 H38 N2 O4 Ru2 -","- C200 H152 N8 O16 Ru8 -","4","1","CI6017","García-Granda, Santiago; Pérez-Priede, Mónica; Vandermaelen, Juan Francisco; Cabeza, Javier A.","(<i>tert</i>-Butyl isocyanide)tetracarbonyl[<i>N</i>-(1,2,3,4-tetraphenylbutadienyl)benzophenone imine]diruthenium(I)","Acta Crystallographica Section E","2001","57","5","m174","m175","10.1107/S1600536801005207","","","0.71073","MoKα","","0.159","0.048","","","","0.142","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200289","6.8673","0.0002","12.8243","0.0003","20.613","0.0005","90","","94.52","0.001","90","","1809.71","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-Acetonylidene-2,3-dihydro-1H-isoindolin-1-one","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C88 H72 N8 O16 -","8","2","CI6019","Chowdhury, Krishna; Mukhopadhyay, Rupa; Mukherjee, Monika; Broder, Charlotte K.; Kundu, Nitya G.","(<i>Z</i>)-3-Acetonylidene-2,3-dihydro-1<i>H</i>-isoindolin-1-one","Acta Crystallographica Section E","2001","57","5","o421","o423","10.1107/S1600536801005864","","","0.71073","MoKα","","0.052","0.043","","","","0.121","","","","","","1.05","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200290","9.077","0.001","11.065","0.001","17.106","0.001","90","","90","","90","","1718.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-{[2-carboxy-5-oxopyrrolidin-1-yl](p-tolyl)methyl}pyroglutamic acid","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","CI6021","Camus, Fabrice; Norberg, Bernadette; Bourry, Anne; Rigo, Benoît; Durant, François","1,1'-(4-Methylbenzylidene)bis(5-oxopyrrolidine-2-carboxylic acid)","Acta Crystallographica Section E","2001","57","5","o439","o440","10.1107/S1600536801006493","","","1.54178","CuKα","","0.029","0.028","","","","0.076","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200291","11.0853","0.0009","8.1425","0.0007","8.453","0.0008","90","","90","","90","","762.99","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H9 N O3 S -","- C6 H9 N O3 S -","- C24 H36 N4 O12 S4 -","4","1","CI6022","Bolte, Michael; Griesinger, Christian; Sakhaii, Peyman","Pyridinium methylsulfonate: a pseudosymmetric structure","Acta Crystallographica Section E","2001","57","5","o458","o460","10.1107/S1600536801006894","","","0.71073","MoKα","","0.04","0.037","","","","0.098","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200292","11.6466","0.0002","17.1438","0.0003","10.5361","0.0002","90","","95.603","0.001","90","","2093.66","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Trans-dichlorobis(3,5-dimethylpyrazole-N)bis(triphenylphosphine-P)- ruthenium(II)","","- C46 H44 Cl2 N4 P2 Ru -","- C46 H44 Cl2 N4 P2 Ru -","- C92 H88 Cl4 N8 P4 Ru2 -","2","0.5","CI6023","Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Qian-Feng Zhang; Xinquan Xin","<i>trans</i>-Dichlorobis(3,5-dimethylpyrazole-<i>N</i>)bis(triphenylphosphine-<i>P</i>)ruthenium(II)","Acta Crystallographica Section E","2001","57","5","m207","m208","10.1107/S1600536801006997","","","0.71073","MoKα","","0.055","0.039","","","","0.109","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200293","7.213","0.005","52.87","0.003","5.061","0.003","90","","90","","90","","1930","1.8","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H40 O2 -","- C19 H40 O2 -","- C76 H160 O8 -","4","1","CI6025","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","Nonadecane-1,19-diol","Acta Crystallographica Section E","2001","57","6","o485","o487","10.1107/S1600536801007176","","","1.5418","CuKα","","","0.04","","","","0.137","","","","","","1.42","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200294","4.2261","0.0006","5.4283","0.0006","23.819","0.003","87.43","0.01","86.56","0.01","83.37","0.01","541.39","0.12","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H42 S2 -","- C20 H42 S2 -","- C20 H42 S2 -","1","0.5","CI6026","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","Icosane-1,20-dithiol","Acta Crystallographica Section E","2001","57","6","o505","o507","10.1107/S1600536801007188","","","1.5418","CuKα","","","0.057","","","","0.159","","","","","","1.769","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200295","4.221","0.001","5.43","0.001","15.615","0.002","85.65","0.01","86.68","0.02","83.51","0.01","354.14","0.12","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H26 S2 -","- C12 H26 S2 -","- C12 H26 S2 -","1","0.5","CI6027","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","Dodecane-1,12-dithiol","Acta Crystallographica Section E","2001","57","6","o508","o510","10.1107/S160053680100719X","","","1.5418","CuKα","","","0.039","","","","0.138","","","","","","1.671","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200296","16.56","0.005","20.69","0.01","9.453","0.002","90","","90","","90","","3239","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C136 H176 O24 S8 -","8","1","CI6031","Ward, A. David; Ward, Virginia R.; Tiekink, Edward R. T.","3,5,5-Trimethyl-2-[2-(phenylsulfonyl)ethyl]-2-cyclohexen-1-one","Acta Crystallographica Section E","2001","57","6","o526","o527","10.1107/S1600536801008248","","","0.71069","MoKα","","0.119","0.04","","","","0.129","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200297","9.4231","0.0002","14.5514","0.0002","22.2014","0.0004","90","","94.56","0.001","90","","3034.6","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenylthiophosphinito-S:P)bis[(η^5^-cyclopentadienyl)nickel(II)]","","- C34 H30 Ni2 P2 S2 -","- C34 H30 Ni2 P2 S2 -","- C136 H120 Ni8 P8 S8 -","4","1","CV6016","Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Qian-Feng Zhang; Xinquan Xin","Bis(μ-diphenylthiophosphinito-<i>S</i>:<i>P</i>)bis[(η^5^-cyclopentadienyl)nickel(II)]","Acta Crystallographica Section E","2001","57","5","m190","m191","10.1107/S1600536801005475","","","0.71073","MoKα","","0.0457","0.0357","","","","0.0917","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200298","13.332","0.003","13.791","0.003","7.44","0.002","90","","90","","90","","1367.9","0.6","200","2","200","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","Dimethyldihydrofluoranthene","(6bR,10aS)-6b,10a-Dimethyl-10,10a-dihydro-9H-fluoranthene","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","CV6017","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","(6b<i>R</i>,10a<i>S</i>)-6b,10a-Dimethyl-10,10a-dihydro-9<i>H</i>-fluoranthene","Acta Crystallographica Section E","2001","57","5","o441","o443","10.1107/S1600536801006572","","","0.71069","MoKα","","0.118","0.054","","","","0.214","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200299","13.495","0.002","10.2178","0.0018","15.154","0.003","90","","115.956","0.014","90","","1878.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5,6,9-tetramethoxy-11-phenyl-10-oxa-11-aza-tricyclo[7.2.2.0 2,7] trideca-2(7),3,5,12-tetraen-8-one","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","CV6018","Russi, Silvia; Mombrú, Alvaro W.; Gamenara, Daniela; Dias, Eduardo; Heinzen, Horacio; Moyna, Patrick; Faccio, Ricardo; Suescun, Leopoldo; Mariezcurrena, Raúl A.","4,5,6,9-Tetramethoxy-11-phenyl-10-oxa-11-azatricyclo[7.2.2.0^2,7^]trideca-2(7),3,5,12-tetraen-8-one","Acta Crystallographica Section E","2001","57","5","o444","o446","10.1107/S1600536801006286","","","0.71069","MoKα","","0.099","0.043","","","","0.1448","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200300","9.3876","0.001","10.2213","0.0011","19.64","0.002","90","","103.161","0.002","90","","1835","0.3","293","2","","","","","","","","","","6","P 1 c 1","P -2yc","7","","Poly[[silver(I)-di-μ-1,5-bis(phenylthio)pentane] hexafluorophosphate]","","- C34 H40 Ag F6 P S4 -","- C34 H40 Ag F6 P S4 -","- C68 H80 Ag2 F12 P2 S8 -","2","1","CV6019","Chen, Wei; Du, Miao; Zhang, Ruo-Hua; Bu, Xian-He","Poly[[silver(I)-di-μ-1,5-bis(phenylthio)pentane] hexafluorophosphate]: a two-dimensional molecular-rectangle coordination ploymer","Acta Crystallographica Section E","2001","57","6","m213","m215","10.1107/S1600536801006560","","","0.71073","MoKα","","0.0418","0.034","","","","0.0892","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200301","14.1445","0.0014","6.2718","0.0004","22.34","0.002","90","","103.694","0.011","90","","1925.5","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O2 Si -","- C19 H32 O2 Si -","- C76 H128 O8 Si4 -","4","1","CV6020","Marcel K. Eberle; Reinhart Keese; Helen Stoeckli-Evans","A bicyclo[3.3.0]octan-2-ylcyclopentanone","Acta Crystallographica Section E","2001","57","5","o461","o462","10.1107/S1600536801006808","","","0.71073","MoKα","","0.0544","0.0406","","","","0.1148","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200302","7.4845","0.0011","13.937","0.002","22.012","0.003","90","","90","","90","","2296.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ramipril","1-[2-(1-ethoxycarbonyl-3-phenylpropylamino)propionyl]octahydrocyclopenta[b]- pyrrole-2-carboxylic acid","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C92 H128 N8 O20 -","4","1","CV6021","Nagel, Norbert; Schweitzer, Harald; Urbach, Hansjörg; Heyse, Winfried; Müller, Barbara; Berchtold, Harald","Ramipril","Acta Crystallographica Section E","2001","57","5","o463","o465","10.1107/S1600536801006948","","","0.71073","MoKα","","0.1558","0.0643","","","","0.0854","","","","","","0.918","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200303","10.0994","0.0006","5.041","0.0002","9.532","0.0006","90","","90.37","0.005","90","","485.27","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C F3 Li O3 S -","- C F3 Li O3 S -","- C4 F12 Li4 O12 S4 -","4","1","CV6022","Bolte, Michael; Lerner, Hans-Wolfram","Lithium trifluoromethanesulfonate","Acta Crystallographica Section E","2001","57","6","m231","m232","10.1107/S1600536801007462","","","0.71073","MoKα","","0.0398","0.0292","","","","0.0782","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200304","9.407","0.002","23.121","0.004","11.604","0.002","90","","107.315","0.003","90","","2409.5","0.8","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Carbonato-O,O')bis(1,2-ethanediamine-N,N')cobalt(III) nitrate monohydrate","","- C5 H18 Co N5 O7 -","- C5 H18 Co N5 O7 -","- C40 H144 Co8 N40 O56 -","8","2","CV6023","Alan Hazell; Josua Jepsen","(Carbonato-<i>O</i>,<i>O</i>')bis(1,2-ethanediamine-<i>N</i>,<i>N</i>')cobalt(III) nitrate monohydrate","Acta Crystallographica Section E","2001","57","6","m239","m241","10.1107/S1600536801007577","","","0.71073","MoKα","","","0.026","","","","0.032","","","","","","0.956","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200305","10.909","0.003","18.502","0.007","13.092","0.004","90","","97.143","0.012","90","","2622","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(4-Methyl-benzylidene)-4,8-diphenyl-6-p-tolyl-2-oxa- 3,7-diazaspiro[4.4]nona-3,7-dien-1-one","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C132 H104 N8 O8 -","4","1","NA6057","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina","9-(4-Methylbenzylidene)-4,8-diphenyl-6-<i>p</i>-tolyl-2-oxa-3,7-diazaspiro[4.4]nona-3,7-dien-1-one","Acta Crystallographica Section E","2001","57","5","o396","o398","10.1107/S1600536801005608","","","0.71073","MoKα","","0.1629","0.0493","","","","0.126","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200306","9.127","0.002","10.45","0.003","14.632","0.003","99.172","0.019","101.131","0.017","101.239","0.018","1314.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","9-(2-Methoxy-benzylidene)-6-(2-methoxy-phenyl)-4,8-diphenyl-2-oxa- 3,7-diazaspiro[4.4]nona-3,7-dien-1-one","","- C33 H26 N2 O4 -","- C33 H26 N2 O4 -","- C66 H52 N4 O8 -","2","1","NA6058","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina","9-(2-Methoxybenzylidene)-6-(2-methoxyphenyl)-4,8-diphenyl-2-oxa-3,7-diazaspiro[4.4]nona-3,7-dien-1-one","Acta Crystallographica Section E","2001","57","5","o399","o401","10.1107/S160053680100561X","","","0.71073","MoKα","","0.1264","0.0414","","","","0.0972","","","","","","0.716","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200307","7.317","0.001","17.787","0.004","12.422","0.002","90","","98.7","0.03","90","","1598.1","0.5","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7a,13b-ethylenedioxy-1-hydroxy-7a,13b-dihydrodibenzo[a,kl]xanthene","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","NA6063","Cai, Yue-Peng; Tan, Duan-Min; Su, Cheng-Yong; Liao, Miao-Fen; Kang, Bei-Sheng; Xu, Zun-Le","7a,13b-Ethylenedioxy-1-hydroxy-7a,13b-dihydrodibenzo[<i>a</i>,<i>kl</i>]xanthene","Acta Crystallographica Section E","2001","57","6","o528","o530","10.1107/S1600536801007772","","","0.71073","MoKα","","0.0667","0.0452","","","","0.1358","","","","","","1.009","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200308","6.5392","0.0002","7.6077","0.0001","20.3127","0.0005","90","","90","","90","","1010.52","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(3-Pyridylamino)methyl]phenol","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","NA6064","Chen, Zhen-Feng; Xie, Yong-Rong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Xiong, Ren-Gen; You, Xiao-Zeng","4-[(3-Pyridylamino)methyl]phenol","Acta Crystallographica Section E","2001","57","5","o411","o413","10.1107/S1600536801005037","","","0.71073","MoKα","","0.11","0.0577","","","","0.1333","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200309","33.805","0.005","7.1247","0.0009","7.2074","0.001","90","","90","","90","","1735.9","0.4","290","2","290","2","","","","","","","","3","C m c 21","C 2c -2","36","","2,6-Bis[1-(phenylimino)ethyl]pyridine","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","0.5","NA6065","Ayfer Mentes; John Fawcett; Raymond D. W. Kemmitt","2,6-Bis[1-(phenylimino)ethyl]pyridine","Acta Crystallographica Section E","2001","57","5","o424","o425","10.1107/S1600536801005943","","","0.71073","MoKα","","0.0645","0.0489","","","","0.1509","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200310","8.411","0.002","9.617","0.003","10.538","0.003","102.62","0.02","91.23","0.02","102.94","0.02","808.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(2,4-Dinitrophenyl)-3-(2-hydroxy-5-methylphenyl)pyrazole-4-carboxaldehyde","","- C17 H12 N4 O6 -","- C17 H12 N4 O6 -","- C34 H24 N8 O12 -","2","1","NA6066","Jeyakanthan, J.; Velmurugan, D.; Selvi, S.; Perumal, P. T.","1-(2,4-Dinitrophenyl)-3-(2-hydroxy-5-methylphenyl)pyrazole-4-carboxaldehyde","Acta Crystallographica Section E","2001","57","5","o474","o476","10.1107/S1600536801006900","","","1.5418","CuKα","","0.0825","0.0504","","","","0.1764","","","","","","1.169","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200311","6.6181","0.0012","7.4989","0.0011","9.9","0.004","90","","92.62","0.02","90","","490.8","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Trichloro(sarcosinium) zinc(II) monohydrate","Trichloro(sarcosinium) zinc(II) monohydrate","","- C3 H10 Cl3 N O3 Zn -","- C3 H10 Cl3 N O3 Zn -","- C6 H20 Cl6 N2 O6 Zn2 -","2","1","NA6068","Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","Trichloro(sarcosinio)zinc(II) monohydrate","Acta Crystallographica Section E","2001","57","5","m192","m194","10.1107/S160053680100592X","","","0.71073","MoKα","","0.0179","0.0173","","","","0.0527","","","","","","1.275","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200312","34.65","0.002","3.73","0.002","20.76","0.002","90","","110.47","0.06","90","","2513.7","1.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","diflunisal hydrate","2',4'-Difluoro-4-hydroxybiphenyl-3-carboxylic acid hydrate","","- C13 H10 F2 O4 -","- C13 H9 F2 O4 -","- C104 H72 F16 O32 -","8","1","NA6069","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","The 1:1 hydrate of diflunisal","Acta Crystallographica Section E","2001","57","5","o477","o479","10.1107/S1600536801006973","","","0.71069","MoKα","","0.0995","0.0496","","","","0.1776","","","","","","0.826","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200313","7.1142","0.0002","11.0127","0.0003","16.463","0.0004","90","","90.078","0.001","90","","1289.82","0.06","133","","133","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","NA6071","Bolte, Michael; Kühl, Christine; Lüning, Ulrich","<i>N</i>,<i>N</i>'-Bis(6-methyl-2-pyridyl)urea","Acta Crystallographica Section E","2001","57","6","o502","o504","10.1107/S1600536801007334","","","0.71073","MoKα","","0.0441","0.0356","","","","0.0945","","","","1.119","1.119","1.085","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200314","12.996","0.003","5.8243","0.0012","42.693","0.009","90","","97.42","0.03","90","","3204.5","1.2","150","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C160 H128 O56 -","8","2","NA6072","Coles, Simon J.; Hursthouse, Michael B.","4,8-Bis(3,4-methylenedioxy)phenyl-3,7-dioxabicyclo[3.3.0]octan-2-one","Acta Crystallographica Section E","2001","57","6","o544","o546","10.1107/S1600536801007437","","","0.71073","MoKα","","","0.0633","","","","0.1484","","","","","","0.866","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200315","15.244","0.002","15.244","0.002","15.244","0.002","90","","90","","90","","3542.4","0.8","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C24 H48 Cl6 Fe3 O7 -","- C24 H48 Cl6 Fe3 O7 -","- C96 H192 Cl24 Fe12 O28 -","4","0.166667","NA6073","Bolte, Michael; Lerner, Hans-Wolfram; Scholz, Stefan","[Fe(thf)~6~][Cl~3~Fe‒O‒FeCl~3~]","Acta Crystallographica Section E","2001","57","6","m216","m217","10.1107/S1600536801007115","","","0.71073","MoKα","","0.1377","0.056","","","","0.1327","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200316","8.9591","0.0005","16.614","0.001","10.7359","0.0006","90","","91.83","0.01","90","","1597.19","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dimethylglyoximato-N,N')(ethanol-O)nitrocobalt(III)","","- C10 H20 Co N5 O7 -","- C10 H20 Co N5 O7 -","- C40 H80 Co4 N20 O28 -","4","1","NA6074","Hu, Chunhua; Englert, Ulli","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(ethanol-<i>O</i>)nitrocobalt(III), [Co(Hdmg)~2~(NO~2~)(EtOH)]","Acta Crystallographica Section E","2001","57","6","m222","m223","10.1107/S1600536801007383","","","0.71073","MoKα","","0.0559","0.0426","","","","0.108","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200317","11.206","0.0017","9.3052","0.001","14.4925","0.0018","90","","101.979","0.008","90","","1478.3","0.3","220","1","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-phenyl-5H-dibenz[c,e]azepine N-oxide","","- C20 H15 N O -","- C20 H15 N O -","- C80 H60 N4 O4 -","4","1","NA6075","Gould, Robert O.; Krieger, Matthias; Sharp, John T.","7-Phenyl-5<i>H</i>-dibenz[<i>c</i>,<i>e</i>]azepine <i>N</i>-oxide","Acta Crystallographica Section E","2001","57","6","o521","o523","10.1107/S1600536801008042","","","1.5418","CuKα","","0.0452","0.0399","","","","0.1083","","","","","","1.052","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200318","11.425","0.003","5.542","0.003","12.95","0.004","90","","106.39","0.02","90","","786.6","0.5","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C36 H32 Cu2 N4 O8 -","2","0.5","NA6078","Okabe, Nobuo; Saishu, Hiroko","Bisaquabis(8-hydroxyquinolinato-<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section E","2001","57","6","m251","m252","10.1107/S1600536801008297","","","0.7107","MoKα","","","0.0327","","","","0.1109","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200319","11.914","0.002","12.399","0.005","26.133","0.005","90","","90","","90","","3860.4","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-ylamine","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C184 H176 N32 O8 -","8","1","NA6079","Zrinka Banić Tomišić; Andreja Čempuh; Ivica Malnar","7-Cyclopentyl-5-(4-phenoxyphenyl)-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine-4-ylamine, an lck tyrosine kinase inhibitor","Acta Crystallographica Section E","2001","57","6","o511","o513","10.1107/S1600536801007917","","","0.71069","MoKα","","0.4675","0.0614","","","","0.136","","","","","","0.841","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200320","17.761","0.004","6.6774","0.0013","19.173","0.004","90","","96.91","0.02","90","","2257.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(n-pentyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one)dioximato- ^4^N]cobalt(III)perchlorate","","- C16 H32 Cl Co N4 O7 -","- C16 H32 Cl Co N4 O7 -","- C64 H128 Cl4 Co4 N16 O28 -","4","1","OB6033","Shen, Xu-Jie; Chen, Hui-Lan; Duan, Chun-Ying; Liu, Yong-Jiang","Aqua(<i>n</i>-pentyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^<i>N</i>]cobalt(III) perchlorate","Acta Crystallographica Section E","2001","57","5","m188","m189","10.1107/S1600536801005086","","","0.71073","MoKα","","0.1003","0.0656","","","","0.1887","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200321","6.2854","0.0019","8.626","0.003","15.318","0.005","97.391","0.006","97.498","0.006","100.559","0.007","799.5","0.5","293","2","","","","","","","","","","4","P -1","-P 1","2","","2-tert-Butyl-4-methyl-6-(4-piperidylmethyl)phenol","","- C17 H27 N O -","- C17 H27 N O -","- C34 H54 N2 O2 -","2","1","OB6034","Xu Deng; Ya-Mei Guo; Miao Du; Ya-Yin Fang","2-<i>tert</i>-Butyl-4-methyl-6-(4-piperidylmethyl)phenol","Acta Crystallographica Section E","2001","57","6","o488","o489","10.1107/S1600536801006328","","","0.71073","MoKα","","0.1533","0.0584","","","","0.1551","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200322","9.61","0.002","11.313","0.002","13.455","0.003","80.96","0.03","81.45","0.03","77.78","0.03","1401.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetraaqua[3-(1H-imidazol-4-yl)-2-(6-{N-[(1H-imidazol-4-yl)-1-carboxylatoethyl]- carbamoyl}-2-pyridylcarbonylamino)propionato]nickel(II) pentahydrate","","- C19 H35 N7 Ni O15 -","- C19 H35 N7 Ni O15 -","- C38 H70 N14 Ni2 O30 -","2","1","OB6035","Joussef, Antônio C.; Ceccato, Augusto S.; Bortoluzzi, Adailton J.; de Brito, Marcos A.; Drechsel, Sueli M.","Tetraaqua[3-(1<i>H</i>-imidazol-4-yl)-2-(6-{<i>N</i>-[(1<i>H</i>-imidazol-4-yl)-1-carboxylatoethyl]carbamoyl}-2-pyridylcarbonylamino)propionato]nickel(II) pentahydrate","Acta Crystallographica Section E","2001","57","6","m224","m226","10.1107/S1600536801007164","","","0.71073","MoKα","","0.073","0.041","","","","0.114","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200323","11.235","0.003","5.8312","0.0014","13.0948","0.0019","90","","91.282","0.016","90","","857.7","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Valine L-Valinium Perchlorate","L-Valine L-Valinium Perchlorate monohydrate","","- C10 H25 Cl N2 O9 -","- C10 H25 Cl N2 O9 -","- C20 H50 Cl2 N4 O18 -","2","1","OB6036","S. Pandiarajan; B. Sridhar; R. K. Rajaram","<small>L</small>-Valine <small>L</small>-valinium perchlorate monohydrate","Acta Crystallographica Section E","2001","57","5","o466","o468","10.1107/S160053680100681X","","","0.71073","MoKα","","0.0445","0.0371","","","","0.11","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200324","7.2861","0.0015","20.179","0.004","10.453","0.002","90","","103.47","0.03","90","","1494.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Octaaquabis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2-)]dissodium(I)zinc(II) dihydrate","","- C20 H28 Na2 O26 Zn -","- C20 H28 Na2 O26 Zn -","- C40 H56 Na4 O52 Zn2 -","2","0.25","OB6037","Chuan-De Wu; Ding-Ming Wu; Can-Zhong Lu; Jin-Shun Huang","Octaaquabis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2‒)]disodium(I)zinc(II) dihydrate","Acta Crystallographica Section E","2001","57","6","m253","m255","10.1107/S1600536801008261","","","0.71073","MoKα","","0.0762","0.0564","","","","0.1634","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200325","8.5577","0.0002","10.7752","0.0003","11.0632","0.0003","90","","97.386","0.0009","90","","1011.68","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-Diiodo-4-oxo-1,4-dihydropyridine-1-acetic acid","","- C7 H5 I2 N O3 -","- C7 H5 I2 N O3 -","- C28 H20 I8 N4 O12 -","4","1","OB6039","Cox, Philip J.; Hickey, Geraldine","3,5-Diiodo-4-oxo-1,4-dihydropyridine-1-acetic acid","Acta Crystallographica Section E","2001","57","6","o495","o497","10.1107/S160053680100722X","","","0.71073","MoKα","","0.053","0.05","","","","0.1364","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200326","10.7043","0.0002","10.723","0.0002","13.9487","0.0003","103.352","0.001","111.835","0.001","92.519","0.001","1431.01","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-{4-[2-(2-hydroxyethyl)methylamino]benzylideneamino}-5-methyl- 1,2,4-triazole-3-thione","","- C13 H17 N5 O S -","- C13 H17 N5 O S -","- C52 H68 N20 O4 S4 -","4","2","OB6040","Ji Wu; Yu-Peng Tian; Fu-Xin Xie; Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak","4-Amino-5-methyl-1,2,4-triazole-3-thione derivative of 4-[2-(2-hydroxyethyl)methylamino]benzaldehyde","Acta Crystallographica Section E","2001","57","6","o547","o549","10.1107/S1600536801007851","","","0.71073","MoKα","","0.0815","0.0536","","","","0.1456","","","","","","0.964","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200327","11.81","0.002","13.985","0.003","14.434","0.003","90","","90","","90","","2384","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","dimethyl(Z)-[(8aS,2R, 4aR, 4bR)-8a-methoxycarbonyl-1,4a,7- -trimethyl-8-oxo-2,3,4,4a,4b,5,8,8a,9,10-decahydro- -phenanthren-2-yl]-2-butenedioate","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","OB6041","Abad, Antonio; Agulló, Consuelo; Cuñat, Ana C.; Navarro, Ismael; Ramírez de Arellano, Carmen","The product of a regiospecific and stereoselective ene-reaction of a polycyclic terpenoid system","Acta Crystallographica Section E","2001","57","6","o553","o554","10.1107/S1600536801008510","","","0.71073","MoKα","","0.0778","0.0491","","","","0.123","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200328","6.3521","0.0007","10.4406","0.0006","13.523","0.001","90","","97.199","0.004","90","","889.77","0.13","123.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","OB6043","Yoshinori Naruta; Yoshimitsu Tachi; Takefumi Chishiro; Yuichi Shimazaki; Fumito Tani","2-(Imidazol-1-yl)-4-methylphenol","Acta Crystallographica Section E","2001","57","6","o550","o552","10.1107/S1600536801008492","","","0.7107","MoKα","","","0.049","","","","0.1569","","","","","","1.604","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200329","6.8839","0.0011","12.463","0.0017","7.9173","0.0012","90","","111.127","0.018","90","","633.6","0.18","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Br2 N2 Ni O4 -","- C4 H14 Br2 N2 Ni O4 -","- C8 H28 Br4 N4 Ni2 O8 -","2","0.5","OM6004","Assoumatine, Tokouré; Stoeckli-Evans, Helen","<i>trans</i>-Bis(acetonitrile-<i>N</i>)tetraaquanickel(II) dibromide","Acta Crystallographica Section E","2001","57","5","m179","m180","10.1107/S1600536801005323","","","0.71073","MoKα","","0.0474","0.0397","","","","0.1122","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200330","15.14","0.004","13.655","0.003","12.286","0.003","90","","110.51","0.03","90","","2379","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(1-Adamantyl)-4-hydroxy-2-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3- carboxamide","","- C25.5 H34 N2 O3.5 -","- C25.5 H34 N2 O3.5 -","- C102 H136 N8 O14 -","4","1","OM6005","Shishkina, Svetlana V.; Shishkin, Oleg V.; Ukrainets, Igor V.; Maher Amer; Sidorenko, Lyudmila V.","<i>N</i>-(1-Adamantyl)-4-hydroxy-2-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide","Acta Crystallographica Section E","2001","57","5","o414","o415","10.1107/S1600536801005591","","","0.71073","MoKα","","0.2399","0.0688","","","","0.212","","","","","","0.907","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2200331","6.7112","0.0008","10.4414","0.0008","17.687","0.002","90","","90","","90","","1239.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Oxa-1-aza-7-phenylbicyclo[5.2.1]decane-9,10-dione","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","OM6011","Kubicki, Maciej; Codding, Penelope W.","8-Oxa-1-aza-7-phenylbicyclo[5.2.1]decane-9,10-dione","Acta Crystallographica Section E","2001","57","5","o406","o407","10.1107/S160053680100558X","","","1.54178","CuKα","","0.0744","0.0628","","","","0.1369","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200332","10.365","0.002","15.529","0.004","11.767","0.003","90","","93.33","0.02","90","","1890.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PK11195","1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)isoquinoline-3-carboxamide","","- C21 H21 Cl N2 O -","- C21 H21 Cl N2 O -","- C84 H84 Cl4 N8 O4 -","4","1","OM6013","Kubicki, Maciej; Codding, Penelope W.","1-(2-Chlorophenyl)-<i>N</i>-methyl-<i>N</i>-(1-methylpropyl)isoquinoline-3-carboxamide","Acta Crystallographica Section E","2001","57","5","o389","o391","10.1107/S160053680100530X","","","1.54178","CuKα","","0.0962","0.0688","","","","0.164","","","","","","1.291","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200333","14.016","0.0007","38.4862","0.0012","17.2175","0.0005","90","","90","","90","","9287.5","0.6","174","2","174","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[(μ-1,3-diphenylpropane-1,3-dionato-O,O':O')dimethylthallium]","","- C34 H34 O4 Tl2 -","- C34 H34 O4 Tl2 -","- C408 H408 O48 Tl24 -","12","1.5","OM6014","Britton, Doyle","Bis[(μ-1,3-diphenylpropane-1,3-dionato-<i>O</i>,<i>O</i>':<i>O</i>')dimethylthallium], [(CH~3~)~2~Tl(bzbz)]~2~","Acta Crystallographica Section E","2001","57","5","m176","m178","10.1107/S1600536801005311","","","0.71073","MoKα","","0.057","0.046","","","","0.107","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200334","10.7917","0.0014","11.0583","0.0014","11.7156","0.0015","63.282","0.002","77.173","0.002","71.153","0.002","1177","0.3","171","2","171","2","","","","","","","","6","P -1","-P 1","2","","trans-bis(Triphenylphosphine)bis(4,4,4-trifluoro-1-phenyl- 1,3-butanedionato-O,O')nickel(II)","","- C56 H42 F6 Ni O4 P2 -","- C56 H42 F6 Ni O4 P2 -","- C56 H42 F6 Ni O4 P2 -","1","0.5","OM6015","Dickman, Michael H.","<i>trans</i>-Bis(4,4,4-trifluoro-1-phenyl-1,3-butanedionato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)nickel(II) at 173K","Acta Crystallographica Section E","2001","57","6","m220","m221","10.1107/S1600536801005220","","","0.71073","MoKα","","0.0532","0.0407","","","","0.1086","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200335","8.3588","0.0004","10.6774","0.0004","12.5709","0.0005","99.033","0.003","108.701","0.004","99.057","0.003","1023.33","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","α-[(diphenylmethoxy)methyl]-2,5-dimethyl-1-pyrrolidineethanol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C44 H58 N2 O4 -","2","1","OM6016","Kubicki, Maciej; Codding, Penelope W.","α-[(Diphenylmethoxy)methyl]-2,5-dimethyl-1-pyrrolidineethanol","Acta Crystallographica Section E","2001","57","6","o490","o491","10.1107/S1600536801006638","","","1.54178","CuKα","","0.0488","0.043","","","","0.1156","","","","","","1.092","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200336","10.0838","0.0016","25.963","0.004","10.1696","0.0017","90","","95.641","0.014","90","","2649.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Tricarbonylchromium dihydroacenaphthylene complex","exo-(±)-Tricarbonyl(η^6^-1-hydroxy-1,2-dihydroacenaphthylene)chromium(0)","","- C15 H10 Cr O4 -","- C15 H10 Cr O4 -","- C120 H80 Cr8 O32 -","8","2","OM6017","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","<i>exo</i>-(±)-Tricarbonyl(η^6^-1-hydroxy-1,2-dihydroacenaphthylene)chromium(0)","Acta Crystallographica Section E","2001","57","5","m204","m206","10.1107/S1600536801006304","","","0.71069","MoKα","","0.253","0.047","","","","0.161","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200337","17.48","0.002","11.443","0.002","21.889","0.003","90","","91.95","0.02","90","","4375.8","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 N4 Si2 W -","- C44 H64 N4 Si2 W -","- C176 H256 N16 Si8 W4 -","4","1","OM6018","Mills, Ryan C.; Boncella, James M.; Abboud, Khalil A.","A chelate-stabilized tungsten‒bis(imido) complex","Acta Crystallographica Section E","2001","57","6","m218","m219","10.1107/S160053680100664X","","","0.71073","MoKα","","0.0356","0.0221","","","","0.0471","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200338","12.6157","0.0004","8.2419","0.0004","7.5397","0.0008","90","","90","","90","","783.96","0.09","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","trimethylsulfonium methanesulfonate","","- C4 H12 O3 S2 -","- C4 H12 O3 S2 -","- C16 H48 O12 S8 -","4","0.5","OM6021","Fronczek, Frank R.; Johnson, Rolanda J.; Strongin, Robert M.","Trimethylsulfonium methanesulfonate","Acta Crystallographica Section E","2001","57","5","o447","o448","10.1107/S1600536801006651","","","0.71073","MoKα","","0.074","0.039","","","","0.089","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200339","9.2865","0.0016","9.6572","0.0018","8.2077","0.0018","98.813","0.018","92.841","0.017","65.794","0.012","663.4","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","α-bromoisopropyl mesityl sulfone","","- C12 H17 Br O2 S -","- C12.002 H17.006 Br0.983 O2 S -","- C24.004 H34.012 Br1.966 O4 S2 -","2","1","OM6022","Chan-Yu-King, Roch; Hou, Yuqing; Sandrock, Paul; Meyers, Cal Y.; Robinson, Paul D.","2-Bromo-2-propyl mesityl sulfone","Acta Crystallographica Section E","2001","57","5","o449","o450","10.1107/S1600536801006687","","","0.71069","MoKα","","0.13","0.055","","","","0.169","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2200340","12.472","0.0009","16.07","0.0012","14.0635","0.0011","90","","104.66","0.02","90","","2726.9","0.4","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NacNacAlH2","","","- C29 H43 Al N2 -","- C29 H43 Al N2 -","- C116 H172 Al4 N8 -","4","1","OM6027","Twamley, Brendan; Hardman, Ned J.; Power, Philip P.","A primary monomeric alane: [<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)pentane-2,4-diiminato-<i>N</i>,<i>N</i>']dihydridoaluminium","Acta Crystallographica Section E","2001","57","6","m227","m228","10.1107/S1600536801007413","","","0.71073","MoKα","","0.093","0.049","","","","0.135","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200341","11.669","0.004","11.7771","0.0016","6.175","0.0012","101.711","0.014","95.71","0.03","75.948","0.017","805","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-Bromo-2-propyl 2-(5-tert-butyl-1,3-xylyl) ketone","","- C16 H23 Br O -","- C16.0001 H23.0003 Br0.9999 O -","- C32.0002 H46.0006 Br1.9998 O2 -","2","1","OM6028","Robinson, Paul D.; Sandrock, Paul; Xie, Songwen; Meyers, Cal Y.","2-Bromo-2-propyl 2-(5-<i>tert</i>-butyl-1,3-xylyl) ketone","Acta Crystallographica Section E","2001","57","6","o555","o557","10.1107/S1600536801008522","","","0.71069","MoKα","","0.19","0.07","","","","0.261","","","","","","1.029","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2200342","10.165","0.002","10.365","0.002","9.053","0.002","112.93","0.01","100.12","0.02","102.37","0.01","821.7","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N S2 -","- C19 H17 N S2 -","- C38 H34 N2 S4 -","2","1","TK6007","Tolhurst, Vicki-Anne; Ball, Rachel J.; Genge, Anthony R. J.","2,6-Bis(phenylthiomethyl)pyridine","Acta Crystallographica Section E","2001","57","5","o392","o393","10.1107/S1600536801005293","","","0.7107","MoKα","","","0.0343","","","0.0407","","","","","3.021","3.021","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200343","21.585","0.004","11.675","0.003","8.092","0.002","90","","90","","90","","2039.2","0.8","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","0.5","TK6010","Sim, Wonbo; Lee, Jai Young; Kim, Jong Seung; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan","2,11,18,21,24-Pentaoxatetracyclo[23.4.0.0^4,9^.0^12,17^]nonaicosa-1(25),4(9),5,7,12(17),13,15,26,28-nonaene","Acta Crystallographica Section E","2001","57","5","o416","o418","10.1107/S1600536801005505","","","0.71069","MoKα","","0.142","0.045","","","","0.107","","","","","","0.981","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2200344","12.2039","0.0008","12.2039","0.0008","8.343","0.001","90","","90","","90","","1242.57","0.19","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-N-benzyl-4-carboxybenzotriazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","TK6012","Graham Smith; Steven E. Bottle; Damien A. Reid; D. Paul Schweinsberg; Raymond C. Bott","A novel benzylated carboxytriazole: 1-benzyl-4-carboxybenzotriazole","Acta Crystallographica Section E","2001","57","6","o531","o532","10.1107/S1600536801008133","","","0.71069","MoKα","","0.133","0.042","","","","0.102","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200345","7.109","0.003","15.014","0.002","17.139","0.002","90","","90","","90","","1829.3","0.8","200","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Ag F6 P S2 -","- C18 H16 Ag F6 P S2 -","- C72 H64 Ag4 F24 P4 S8 -","4","0.5","TK6013","Wen, Ming; Munakata, Megumu; Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Yan, Sheng Gang","A bent two-coordinate silver(I) complex with 2,2',3,3'-tetrahydro-4,4'-dithia-1,1'-binaphylidene","Acta Crystallographica Section E","2001","57","6","m246","m247","10.1107/S1600536801007759","","","0.7107","MoKα","","","0.034","","","","0.079","","","","","","1.13","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200346","8.444","0.004","15.58","0.007","11.579","0.006","90","","110.333","0.009","90","","1428.4","1.2","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(R,R)-1,3-Bis(phenylsulfinyl)propane","","- C15 H16 O2 S2 -","- C15 H16 O2 S2 -","- C60 H64 O8 S8 -","4","1","TK6014","Wei Chen; Miao Du; Wei Weng; Ruo-Hua Zhang; Xian-He Bu","(<i>R</i>,<i>R</i>)-1,3-Bis(phenylsulfinyl)propane","Acta Crystallographica Section E","2001","57","5","o430","o431","10.1107/S1600536801006134","","","0.71073","MoKα","","0.052","0.044","","","","0.127","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200347","6.743","0.005","19.418","0.005","22.095","0.005","90","","90","","90","","2893","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tri(L-Isoleucinium) sulfate bisulfate","Tri(L-Isoleucinium) sulfate bisulfate","","- C18 H43 N3 O14 S2 -","- C18 H43 N3 O14 S2 -","- C72 H172 N12 O56 S8 -","4","1","TK6015","B. Sridhar; N. Srinivasan; R. K. Rajaram","Tri(<small>L</small>-isoleucinium) sulfate bisulfate","Acta Crystallographica Section E","2001","57","6","o558","o560","10.1107/S1600536801008583","","","0.71069","MoKα","","0.145","0.047","","","","0.125","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200348","8.8053","0.0018","13.885","0.003","15.647","0.003","90","","90","","90","","1913","0.7","163","2","163","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dichoro[(3-methyl-2-p-tolylsulfonamidobutyl)-κ^2^N,O:η^5^-cyclopentadienyl]- titanium","","- C17 H21 Cl2 N O2 S Ti -","- C17 H21 Cl2 N O2 S Ti -","- C68 H84 Cl8 N4 O8 S4 Ti4 -","4","1","TK6016","Lensink, Cornelis; Gainsford, Graeme J.; Brandsma, Menno","Dichloro[(3-methyl-2-<i>p</i>-tolylsulfonamidobutyl)-κ^2^<i>N</i>,<i>O</i>:η^5^-cyclopentadienyl]titanium","Acta Crystallographica Section E","2001","57","5","m211","m212","10.1107/S1600536801007061","","","0.71073","MoKα","","0.022","0.021","","","","0.056","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200349","9.4515","0.0002","10.7953","0.0003","12.7494","0.0004","90","","109.025","0.001","90","","1229.79","0.06","149","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","oxobis(2,2,6,6-tetramethyl-3,5-heptadionato)vanadium(IV)","","- C22 H38 O5 V -","- C22 H38 O5 V -","- C44 H76 O10 V2 -","2","1","TK6017","Urs, Usha K.; Anitha, K. C.; Lakshmi Raghunathan, K.; Shivashankar, S. A.; Robinson, W. T.; Guru Row, T. N.","Low-temperature oxobis(2,2,6,6-tetramethyl-3,5-heptanedionato)vanadium(IV)","Acta Crystallographica Section E","2001","57","6","m242","m243","10.1107/S1600536801007760","","","0.71073","MoKα","","","0.074","","","","0.187","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200350","9.147","0.006","10.138","0.007","9.699","0.008","90","","92.02","0.04","90","","898.9","1.1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2'-amino-3',5'-dibromoacetophenone","","- C8 H7 Br2 N O -","- C8 H7 Br2 N O -","- C32 H28 Br8 N4 O4 -","4","1","TK6020","Baker, L-J.; Copp, Brent R.; Rickard, Clifton E. F.","2'-Amino-3',5'-dibromoacetophenone","Acta Crystallographica Section E","2001","57","6","o538","o539","10.1107/S1600536801008388","","","0.71073","MoKα","","0.026","0.023","","","","0.061","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200351","21.9206","0.0006","7.3583","0.0002","5.0596","0.0002","90","","90","","90","","816.11","0.05","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2'-amino-5'-bromoacetophenone","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","1","TK6021","Baker, L-J.; Copp, Brent R.; Rickard, Clifton E. F.","2'-Amino-5'-bromoacetophenone","Acta Crystallographica Section E","2001","57","6","o540","o541","10.1107/S160053680100839X","","","0.71073","MoKα","","0.025","0.024","","","","0.061","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200352","29.037","0.013","9.072","0.006","12.628","0.006","90","","109.14","0.07","90","","3143","3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Cholesteryl Trichloroacetimidate","","","- C31.5 H51 Cl3 N O1.5 -","- C31.5 H51 Cl3 N O1.5 -","- C126 H204 Cl12 N4 O6 -","4","1","TK6022","Simon Fielder; Daryl D. Rowan; Michael S. Sherburn; Anthony K. Burrell","1-(Cholest-4-en-3β-yl)-2,2,2-trichloroethanimidate <i>tert</i>-butyl methyl ether hemisolvate","Acta Crystallographica Section E","2001","57","6","o533","o534","10.1107/S160053680100825X","","","0.71073","MoKα","","0.086","0.078","","","","0.221","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200353","13.573","0.001","13.8717","0.0009","12.688","0.001","90","","90","","90","","2388.9","0.3","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","Triisopropylphosphine sulfide","Triisopropylphosphine sulfide","","- C9 H21 P S -","- C9 H21 P S -","- C72 H168 P8 S8 -","8","0.5","WN6010","Staples, Richard J.; Segal, Brent M.","Triisopropylphosphine sulfide","Acta Crystallographica Section E","2001","57","5","o432","o433","10.1107/S1600536801004767","","","0.71073","MoKα","","0.1434","0.0694","","","","0.2179","","","","","","1.143","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200354","10.1504","0.0001","11.9299","0.0003","12.6337","0.0001","111.073","0.001","90.906","0.002","111.218","0.002","1311.91","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Cu(OH)~4~(C~12~H~8~N~2)~4~(H~2~O)~4~(NO~3~)~4~]","Diaquadi-μ~3~-hydroxo-di-μ~2~-hydroxo-tetraphenanthrolinetetracopper(II) tetranitrate dihydrate","","- C48 H36 Cu4 N12 O20 -","- C48 H36 Cu4 N12 O20 -","- C48 H36 Cu4 N12 O20 -","1","0.5","WN6011","Chuanpeng Cui; Jingcao Dai; Limin Wu; Wenxin Du; Xintao Wu","A tetranuclear copper complex, [Cu~4~(μ~3~-OH)~2~(μ~2~-OH)~2~(phen)~4~(H~2~O)~2~](NO~3~)~4~·2H~2~O","Acta Crystallographica Section E","2001","57","5","m198","m200","10.1107/S1600536801006018","","","0.71073","MoKα","","0.1261","0.0688","","","","0.1296","","","","","","1.392","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200355","7.467","0.001","16.002","0.002","8.256","0.001","90","","98.96","0.01","90","","974.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(2-methoxyphenyl)-3,6-dioxaoctanediamide","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","0.5","WN6012","Wei-Hua Jiang; Wei-Sheng Liu; Kai-Bei Yu","<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)-3,6-dioxaoctanediamide","Acta Crystallographica Section E","2001","57","5","o402","o403","10.1107/S1600536801005499","","","0.71073","MoKα","","0.0631","0.0371","","","","0.0976","","","","","","0.94","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200356","16.788","0.013","6.791","0.007","15.814","0.013","90","","119.89","0.06","90","","1563","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dichlorobis(eta(5)-1,2,4-trimethylcyclopentadienyl)titanium(IV)","","- C16 H22 Cl2 Ti -","- C16 H22 Cl2 Ti -","- C64 H88 Cl8 Ti4 -","4","0.5","WN6013","Howie, R. Alan; McQuillan, Geoffrey P.; Thompson, David W.","Dichlorobis(η^5^-1,2,4-trimethylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section E","2001","57","5","m181","m182","10.1107/S1600536801005372","","","0.71073","MoKα","","0.0392","0.0381","","","","0.0998","","","","","","1.172","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200357","9.91","0.001","11.653","0.002","9","0.002","100.93","0.01","95.31","0.01","89.24","0.01","1016.1","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C40 H44 N12 O8 -","4","2","WN6014","Prager, Rolf H.; Smith, Jason A.; Tiekink, Edward R. T.","Ethyl 3-methylimidazo[1,2-<i>a</i>]pyrimidine-2-carboxylate","Acta Crystallographica Section E","2001","57","5","o451","o453","10.1107/S1600536801006316","","","0.71073","MoKα","","0.147","0.058","","","","0.171","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200358","8.957","0.0009","27.968","0.003","7.137","0.001","90","","104.82","0.009","90","","1728.4","0.4","291","1","291","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5-morpholinemethyl-3-(4-fluoridebenzylideamin)-2-oxazolidinone chloride monohydrate","4-[3-(4-fluorobenzylidenamino)-2-oxooxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate","","- C15 H21 Cl F N3 O4 -","- C15 H21 Cl F N3 O4 -","- C60 H84 Cl4 F4 N12 O16 -","4","1","WN6015","Kruszynski, Rafal; Bartczak, Tadeusz J.; Chilmonczyk, Zdzislaw; Cybulski, Jacek","4-[3-(4-Fluorobenzylideneamino)-2-oxo-1,3-oxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate","Acta Crystallographica Section E","2001","57","5","o469","o471","10.1107/S1600536801006742","","","1.54056","CuKα","","0.0835","0.0629","","","","0.2012","","","","","","1.124","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200359","19.0388","0.0006","9.6511","0.0003","20.9817","0.0006","90","","155.492","0.001","90","","1599.25","0.1","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl (2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetate","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","WN6016","Zerzouf, A.; Salem, M.; Essassi, E. M.; Pierrot, M.","Methyl (2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetate","Acta Crystallographica Section E","2001","57","6","o498","o499","10.1107/S1600536801007139","","","0.71073","MoKα","","0.048","0.039","","0.052","","0.05","","","1.398","","","1.289","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200360","10.0535","0.0002","10.9029","0.0003","15.4808","0.0005","90","0.01","90","0.01","90","0.01","1696.89","0.08","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Methyl-4-(7-methylthiazolo[3,2-a]pyrimidin-5-yl)-2-phenyl-1H-pyrazol-5-one dihydrate","","- C17 H18 N4 O3 S -","- C17 H18 N4 O3 S -","- C68 H72 N16 O12 S4 -","4","1","WN6017","Djerrari, B.; Essassi, E. M.; Fifani, J.; Pierrot, M.","3-Methyl-4-(7-methylthiazolo[3,2-<i>a</i>]pyrimidin-5-yl)-2-phenyl-1<i>H</i>-pyrazol-5-one dihydrate","Acta Crystallographica Section E","2001","57","6","o500","o501","10.1107/S1600536801007140","","","0.71073","MoKα","","0.056","0.048","","0.074","","0.068","","","1.857","","","1.8","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200361","6.6528","0.0002","5.7251","0.0002","20.9637","0.0008","90","","90.205","0.002","90","","798.46","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(quinoxaline-2,3-dithiolato-S,S')nickel(II)","","- C16 H8 N4 Ni S4 -","- C16 H8 N4 Ni S4 -","- C32 H16 N8 Ni2 S8 -","2","0.5","WN6018","Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun","Bis(quinoxaline-2,3-dithiolato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section E","2001","57","6","m229","m230","10.1107/S1600536801007152","","","0.71073","MoKα","","0.0855","0.0591","","","","0.1633","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200362","19.516","0.008","6.039","0.002","14.94","0.007","90","","112.17","0.03","90","","1630.6","1.2","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N O5 S2 -","- C14 H21 N O5 S2 -","- C56 H84 N4 O20 S8 -","4","1","YA6017","Creaser, Steffen P.; Pyke, Simon M.; Tiekink, Edward R. T.","<i>N</i>-(4,4-Dimethoxy-1-oxo-1λ^6^-thianylidene)-4-methyl-1-benzenesulfonamide","Acta Crystallographica Section E","2001","57","5","o394","o395","10.1107/S1600536801005347","","","0.71073","MoKα","","0.088","0.047","","","","0.136","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200363","8.555","0.004","8.814","0.004","14.849","0.002","90","","101.7","0.02","90","","1096.4","0.7","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","YA6018","Avery, Thomas D.; Taylor, Dennis K.; Tiekink, Edward R. T.","<i>trans</i>-(±)-2-Carboxymethyl-3-phenylcyclopropane-1-carboxylic acid","Acta Crystallographica Section E","2001","57","5","o419","o420","10.1107/S1600536801005736","","","0.71073","MoKα","","0.061","0.037","","","","0.114","","","","","","0.9","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200364","9.273","0.002","4.877","0.002","31.976","0.005","90","","92.76","0.02","90","","1444.4","0.7","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","YA6019","Jevric, Martyn; Taylor, Dennis K.; Tiekink, Edward R. T.","Ethyl (<i>E</i>)-4-(2-hydroxy-1-naphthyl)-2-methyl-2-butenoate","Acta Crystallographica Section E","2001","57","5","o426","o427","10.1107/S160053680100602X","","","0.71073","MoKα","","0.067","0.037","","","","0.135","","","","","","0.82","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200365","4.869","0.005","8.052","0.005","9.153","0.005","109.26","0.005","99.862","0.005","96.108","0.005","328.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Tartaric acid monohydrate","2,3-Dihydroxysuccinic acid monohydrate","","- C4 H8 O7 -","- C4 H8 O7 -","- C8 H16 O14 -","2","1","YA6020","Nie, Jing-Jing; Xu, Duan-Jun; Wu, Jing-Yun; Chiang, Michael Y.","Redetermination of racemic tartaric acid monohydrate","Acta Crystallographica Section E","2001","57","5","o428","o429","10.1107/S1600536801006158","","","0.71069","MoKα","","0.043","0.04","","0.119","","0.114","","","1.07","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200366","7.5755","0.0004","21.657","0.0012","11.0354","0.0006","90","","103.3","0.001","90","","1761.94","0.17","298","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-[rac-1,3-Bis(phenylsulfinyl)propane]dichloroplatinum(II)","","- C15 H16 Cl2 O2 Pt S2 -","- C15 H16 Cl2 O2 Pt S2 -","- C60 H64 Cl8 O8 Pt4 S8 -","4","1","YA6021","Wei Chen; Miao Du; Ruo-Hua Zhang; Xian-He Bu","<i>cis</i>-[<i>rac</i>-1,3-Bis(phenylsulfinyl)propane-<i>S</i>,<i>S</i>']dichloroplatinum(II)","Acta Crystallographica Section E","2001","57","5","m209","m210","10.1107/S1600536801006754","","","0.71073","MoKα","","0.049","0.047","","","","0.114","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200367","16.576","0.003","10.877","0.006","14.314","0.002","90","","90.25","0.01","90","","2580.7","1.5","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cl2 N6 O12 -","- C16 H40 Cl2 N6 O12 -","- C64 H160 Cl8 N24 O48 -","4","0.5","YA6022","Choi, Ki-Young; Lee, Han-Hyoung; Smyth, Douglas R.; Suh, Il-Hwan; Tiekink, Edward R. T.","4,11-Bis(acetamido)-7,14-dimethyl-4,11-diaza-1,8-diazoniacyclotetradecane diperchlorate dihydrate","Acta Crystallographica Section E","2001","57","5","o480","o482","10.1107/S1600536801007073","","","0.71069","MoKα","","0.13","0.043","","","","0.13","","","","","","0.98","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200368","11.839","0.002","8.0773","0.001","22.695","0.004","90","","91.84","0.03","90","","2169.1","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1S*,4S*,5R*,8R*)-8-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-3,7- dioxabicyclo[3.3.0]octan-2-one","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","YA6023","Light, Mark E.; Hursthouse, Michael B.","(1<i>S</i>*,4<i>S</i>*,5<i>R</i>*,8<i>R</i>*)-8-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octan-2-one","Acta Crystallographica Section E","2001","57","6","o514","o515","10.1107/S1600536801007425","","","0.71073","MoKα","","0.272","0.086","","","","0.334","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200369","18.795","0.002","13.32","0.001","19.579","0.002","90","","114.42","0.01","90","","4463.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetraphenylphosphonium μ-bromo-bromoheptacarbonyl-μ-dicyclohexylphosphido-dirhenate","","- C43 H42 Br2 O7 P2 Re2 -","- C43 H42 Br2 O7 P2 Re2 -","- C172 H168 Br8 O28 P8 Re8 -","4","1","YA6024","Petters, Dina; Flörke, Ulrich","The first example of a bromo- and phosphido-bridged binuclear rhenium carbonyl complex","Acta Crystallographica Section E","2001","57","6","m244","m245","10.1107/S1600536801007620","","","0.71073","MoKα","","0.07","0.037","","0.085","","0.076","","","0.96","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200370","7.974","0.003","17.685","0.004","9.007","0.006","90","","98.74","0.04","90","","1255.4","1","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 N6 -","- C24 H46 N6 -","- C48 H92 N12 -","2","0.5","YA6025","Roy, Tapashi G.; Hazari, Saroj K. S.; Dey, Benu K.; Miah, H. A.; Tiekink, Edward R. T.","<i>trans</i>-(3<i>S</i>,5<i>S</i>,10<i>R</i>,12<i>R</i>)-1,8-Bis(2-cyanoethyl)-<i>C</i>-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section E","2001","57","6","o524","o525","10.1107/S160053680100784X","","","0.71069","MoKα","","0.078","0.045","","","","0.143","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200371","10.3759","0.0003","9.7074","0.0003","10.84","0.0003","90","","92.432","0.001","90","","1090.85","0.06","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","Tetramethylammonium dichlorotriphenylplumbate","","- C22 H27 Cl2 N Pb -","- C22 H27 Cl2 N Pb -","- C44 H54 Cl4 N2 Pb2 -","2","0.5","YA6026","Howie, R. Alan; .; Wardell, James L.","Tetramethylammonium dichlorotriphenylplumbate","Acta Crystallographica Section E","2001","57","6","m256","m258","10.1107/S1600536801008273","","","0.71073","MoKα","","0.032","0.031","","","","0.079","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200372","15.4413","0.0003","10.9988","0.0003","9.5699","0.0002","90","","90","","90","","1625.31","0.06","291","1","291","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","YA6027","Kolev, Tsonko; Glavcheva, Zornitza; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","2-{3-[2-(4-Hydroxyphenyl)vinyl]-5,5-dimethylcyclohex-2-en-1-ylidene}malononitrile","Acta Crystallographica Section E","2001","57","6","o561","o562","10.1107/S1600536801008480","","","0.71073","MoKα","","0.077","0.039","","","","0.095","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200373","8.0692","0.0005","9.5398","0.0006","7.7245","0.0004","90","","111.6","0.001","90","","552.86","0.06","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tin(II) oxalate potassium fluoride","","- C2 F K O4 Sn -","- C2 F K O4 Sn -","- C8 F4 K4 O16 Sn4 -","4","1","BR6015","Salami, Tolulope O.; Zavalij, Peter Y.; Oliver, Scott R. J.","BING-2: a layered tin‒oxalate potassium fluoride, KSn(C~2~O~4~)F","Acta Crystallographica Section E","2001","57","7","i49","i51","10.1107/S1600536801008959","","","0.71073","MoKα","","0.0331","0.0254","","","","0.0592","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200374","15.1416","0.0018","11.1843","0.0012","4.90256","","90","","108.117","0.005","90","","789.06","0.16","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Al10 O20 Si Sr3 -","- Al10 O20 Si Sr3 -","- Al20 O40 Si2 Sr6 -","2","0.25","","Kubota, Shunichi; Hisanori, Yamane; Masahiko, Shimada","A powder diffraction study of Sr~3~Al~10~SiO~20~","Acta Crystallographica, Section E","2001","57","","i60","i61","10.1107/S1600536801007346","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200375","5.947","0.001","21.574","0.002","7.526","0.001","90","","103.82","0.01","90","","937.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sodium thiosulfate pentahydrate","Sodium thiosulfate pentahydrate","","- H10 Na2 O8 S2 -","- H10 Na2 O8 S2 -","- H40 Na8 O32 S8 -","4","1","BR6018","Prasad, Satya Murti; Rani, Asha","Rerefinement of sodium thiosulfate pentahydrate","Acta Crystallographica Section E","2001","57","8","i67","i69","10.1107/S1600536801011175","","","0.71073","MoKα","","0.0223","0.0218","","0.0605","","0.0604","","","1.072","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200376","6.719","0.001","18.024","0.001","10.826","0.002","90","","90","","90","","1311.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Potassium Silver Thiocyanate","","","- C2 Ag K N2 S2 -","- C2 Ag K N2 S2 -","- C16 Ag8 K8 N16 S16 -","8","1","BR6023","Valkonen, Jussi; Günes, Minna","Potassium silver thiocyanate","Acta Crystallographica Section E","2001","57","7","i52","i54","10.1107/S1600536801009679","","","0.71073","MoKα","","0.0924","0.0362","","","","0.0953","","","","","","1.002","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200377","6.524","0.001","6.591","0.001","8.205","0.002","90","","108.29","0.03","90","","334.99","0.12","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Europiumtetrathiosilicate(IV)","","- Eu2 S4 Si -","- Eu2 S4 Si -","- Eu4 S8 Si2 -","2","0.5","BR6024","Johrendt, Dirk; Pocha, Regina","Europium thiosilicate at 100K","Acta Crystallographica Section E","2001","57","7","i57","i59","10.1107/S1600536801010376","","","0.71073","MoKα","","0.0529","0.0445","","","","0.0715","","","","","","1.131","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200378","3.7527","0.0005","5.7581","0.0009","11.313","0.002","90","","90","","90","","244.46","0.07","293","","","","","","","","","","","5","I m m m","-I 2 2","71","","","","- Ba Ca0.1 Ni O5 Y1.9 -","- Ba Ca0.098 Ni O5 Y1.902 -","- Ba2 Ca0.196 Ni2 O10 Y3.804 -","2","0.125","BR6025","Lannuzel, François-Xavier; Boucher, Florent; Boucher, Christophe","Charge-doped nickel oxide, Y~1.90~Ca~0.10~BaNiO~5~","Acta Crystallographica, Section E: Structure Reports Online","2001","57","8","i70","i71","10.1107/S1600536801011667","","","0.71069","MoKα","","0.0183","0.0156","","","","0.0419","","","","","","1","","","","has coordinates","210922","2020-10-21","18:00:00",""
"2200379","15.878","0.001","15.878","0.001","15.878","0.001","90","","90","","90","","4003","0.4","293","2","150","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","barium palladium oxide","","- Ba2.125 O0.422 Pd -","- Ba2.125 O0.42 Pd -","- Ba68 O13.44 Pd32 -","32","0.333333","BR6026","Mårtensson, Malin; Wikstad, Emma; Blomqvist, Helen; Kritikos, Mikael; Eriksson, Lars","Ba~68~Pd~32~O~<i>x~</i>, with <i>x</i> ≃13.5","Acta Crystallographica Section E","2001","57","8","i64","i66","10.1107/S1600536801010935","","","0.71073","MoKα","","0.0497","0.0288","","","","0.0415","","","","","","1.161","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200380","7.9362","0.0003","8.522","0.0003","9.1762","0.0004","90","","90","","90","","620.61","0.04","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H4 Li O4 -","- B H4 Li O4 -","- B8 H32 Li8 O32 -","8","1","","Fronczek, Frank R.; Aubry, David A.; Stanley, George G.","Refinement of lithium tetrahydroxoborate with low-temperature CCD data","Acta Crystallographica, Section E","2001","57","","i62","i63","10.1107/S1600536801011163","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200381","8.818","0.001","8.818","0.001","8.818","0.001","90","","90","","90","","685.66","0.13","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ce2 Rh15 Si7 -","- Ce2 Rh15 Si7 -","- Ce4 Rh30 Si14 -","2","0.0416667","BT6041","Tursina, Anna I.; Gribanov, Alexandr V.; Seropegin, Yuri D.","The new ternary compound Ce~2~Rh~15~Si~7~","Acta Crystallographica Section E","2001","57","7","i55","i56","10.1107/S1600536801008431","","","0.71073","MoKα","","0.0763","0.0473","","","","0.1482","","","","","","0.856","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200382","7.4943","0.0009","14.566","0.0017","10.8812","0.0013","90","","105.655","0.002","90","","1143.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-oxalato-bis[(isocyanato-N)(tetramethylethylenediamine)copper(II)]","","- C16 H32 Cu2 N6 O6 -","- C16 H32 Cu2 N6 O6 -","- C32 H64 Cu4 N12 O12 -","2","0.5","BT6045","Jack Cheng; Fen-Ling Liao; Tian-Huey Lu; Partha S. Mukherjee; Tapas K.Maji; N. Ray Chaudhuri","An oxalato-bridged copper(II) complex","Acta Crystallographica Section E","2001","57","7","m263","m264","10.1107/S1600536801007814","","","0.71073","MoKα","","0.0487","0.0394","","","","0.0897","","","","","","1.16","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200383","9.669","0.005","17.063","0.009","17.875","0.01","90","","90","","90","","2949","3","298","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 1-phenyl-3-sulfanyl-5-(4H-1,2,4-triazol-4-yl)pyrazole-4-carboxylate","","- C15 H15 N5 O2 S -","- C15 H15 N5 O2 S -","- C120 H120 N40 O16 S8 -","8","1","BT6051","Wei-Qiang Chen; Miao Du; Lin-Hong Weng; Gui-Yu Jin","Ethyl 1-phenyl-3-sulfanyl-5-(4<i>H</i>-1,2,4-triazol-4-yl)pyrazole-4-carboxylate","Acta Crystallographica Section E","2001","57","7","o619","o621","10.1107/S1600536801010091","","","0.71073","MoKα","","0.0611","0.038","","","","0.1106","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200384","12.675","0.002","18.259","0.003","22.864","0.004","89.15","0.02","87.73","0.02","77.31","0.02","5158.1","1.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","cis-Dicarbonylbis[1,2-ethanediylbis(diphenylphosphine)-P,P']tungsten(0) benzene sesquisolvate","","- C63 H57 O2 P4 W -","- C63 H57 O2 P4 W -","- C252 H228 O8 P16 W4 -","4","2","BT6052","Filippou, Alexander, C.; Philippopoulos, Athanassios, I.; Ziemer, Burkhard","<i>cis</i>-Dicarbonylbis[1,2-ethanediylbis(diphenylphosphine)-<i>P,P</i>']tungsten(0) benzene sesquisolvate","Acta Crystallographica Section E","2001","57","8","m338","m340","10.1107/S1600536801010893","","","0.71073","MoKα","","0.0295","0.0221","","","","0.0534","","","","","","0.938","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200385","8.626","0.002","9.924","0.003","5.179","0.001","90","","103.719","0.009","90","","430.7","0.18","293","2","21","2","","","","","","","","4","P 1 21 1","P 2yb","4","cyclo(analine-4-hydroxyproline)","2-hydroxy-6-methyl-1,2,3,5,6,7,8,8a-octahydro-7-azaindolizine-5,8-dione","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","BT6054","Pavkovic, Stephen F.; Zerkowski, Jonathan A.; Zeng, Qi","Cyclo(alanine-4-hydroxyproline)","Acta Crystallographica Section E","2001","57","8","o798","o799","10.1107/S1600536801012636","","","0.7107","MoKα","","0.0562","0.04","","","","0.096","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200386","7.9814","0.001","8.2719","0.001","12.168","0.003","91.779","0.018","106.668","0.014","111.018","0.01","710.3","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","1","BT6055","Hökelek, Tuncer; Batı, Hümeyra; Bekdemir, Yunus; Kütük, Halil","2,3-Dimethylquinoxaline‒dimethylglyoxime (1/1)","Acta Crystallographica Section E","2001","57","8","o663","o665","10.1107/S1600536801010765","","","0.71073","MoKα","","0.0627","0.0458","","","","0.1332","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200387","13.2","0.002","13.2","0.002","18.874","0.005","90","","90","","120","","2848","1","210","2","210","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H24.15 N4 O6.075 -","- C18 H24.15 N4 O6.075 -","- C108 H144.9 N24 O36.45 -","6","0.333333","BT6057","Blake, Alexander J.; Doble, Dan M. J.; Li, Wan-Sheung; Schröder, Martin","Tris(2-succinimidoethyl)amine hydrate (1/0.075)","Acta Crystallographica Section E","2001","57","8","o690","o691","10.1107/S1600536801011047","","","0.71073","MoKα","","0.125","0.071","","","","0.144","","","","","","1.28","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2200388","19.846","0.004","10.653","0.002","10.469","0.002","90","","90","","90","","2213.4","0.7","100","2","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C45 H64 Cl2 F N5 -","- C45 H64 Cl2 F N5 -","- C90 H128 Cl4 F2 N10 -","2","0.5","BT6058","Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Sessler, Jonathan L.","Tetrabutylammonium <i>meso</i>-octamethylcalix[4]pyrrole fluoride dichloromethane solvate","Acta Crystallographica Section E","2001","57","9","o816","o818","10.1107/S1600536801012880","","","0.71073","MoKα","","","0.0744","","","","0.2158","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200389","21.7299","0.0004","21.3998","0.0004","17.088","0.0004","90","","91.318","0.003","90","","7944.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium sulfate","","- C16 H37 N O4 S -","- C16 H37 N O4 S -","- C256 H592 N16 O64 S16 -","16","4","BT6059","Light, Mark E.; Gale, Philip A.; Hursthouse, Michael B.","Anion‒anion dimerization in tetrabutylammonium hydrogensulfate","Acta Crystallographica Section E","2001","57","8","o705","o706","10.1107/S1600536801011321","","","0.71073","MoKα","","0.1357","0.0735","","","","0.2372","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200390","16.1733","0.0003","17.8443","0.0003","26.7","0.0005","77.52","0.003","77.237","0.003","83.124","0.003","7316.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Tetrabutylammonium dihydrogenphosphate dichloromethane solvate","","- C17.33 H40.67 Cl2.67 N O4 P -","- C17.3333 H40.6667 Cl2.66667 N O4 P -","- C208 H488 Cl32 N12 O48 P12 -","12","6","BT6060","Light, Mark E.; Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.","Anion‒anion one-dimensional chain formation within cationic channels in tetrabutylammonium dihydrogenphosphate dichloromethane solvate","Acta Crystallographica Section E","2001","57","8","o727","o729","10.1107/S1600536801011746","","","0.71073","MoKα","","0.2697","0.156","","","","0.3933","","","","","","1.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200391","10.281","0.003","10.281","0.003","14.788","0.006","90","","90","","120","","1353.7","0.8","293","2","293","2","","","","","","","","5","P 3","P 3","143","Bis(DL-Methioninium)sulfate","Bis(DL-Methioninium)sulfate","","- C10 H24 N2 O8 S3 -","- C10 H24 N2 O8 S3 -","- C30 H72 N6 O24 S9 -","3","1","BT6061","N. Srinivasan; B. Sridhar; R. K. Rajaram","Bis(<small>DL</small>-methioninium) sulfate","Acta Crystallographica Section E","2001","57","8","o746","o748","10.1107/S1600536801012016","","","1.5418","CuKα","","0.054","0.0507","","","","0.1473","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200392","7.4962","0.0007","9.5511","0.0009","11.4013","0.0011","79.039","0.002","76.866","0.002","76.886","0.002","765.9","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[(2-Chlorophenyl)iminomethyl]-4,6-dimethylquinoline","","- C18 H15 Cl N2 -","- C18 H15 Cl N2 -","- C36 H30 Cl2 N4 -","2","1","BT6063","Sema Öztürk; Mehmet Akkurt; Feray Aydog̃an","2-[(2-Chlorophenyl)iminomethyl]-4,6-dimethylquinoline","Acta Crystallographica Section E","2001","57","8","o730","o732","10.1107/S1600536801011771","","","0.71073","MoKα","","0.1607","0.0705","","","","0.2171","","","","","","0.976","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200393","8.816","0.003","14.965","0.004","15.936","0.005","90","","104.122","0.006","90","","2038.9","1.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Di-2-naphthylpyridine-2,6-dicarboxamide","","- C27 H19 N3 O2 -","- C27 H19 N3 O2 -","- C108 H76 N12 O8 -","4","1","BT6064","Qi, Jianying; Zhou, Zhongyuan; Chan, Albert S. C.","<i>N,N</i>'-Di-2-naphthylpyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2001","57","8","o749","o750","10.1107/S1600536801012028","","","0.71073","MoKα","","0.1714","0.0436","","","","0.1053","","","","","","0.753","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200394","9.078","0.002","5.928","0.002","10.7711","0.0018","90","","98.998","0.017","90","","572.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 Cl N3 O4 -","- C10 H8 Cl N3 O4 -","- C20 H16 Cl2 N6 O8 -","2","1","BT6065","Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo","Imidazolium 2-chloro-4-nitrobenzoate","Acta Crystallographica Section E","2001","57","8","o744","o745","10.1107/S1600536801011977","","","0.71073","MoKα","","0.05","0.032","","","","0.076","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200395","17.689","0.004","5.661","0.0011","17.328","0.004","90","","112.3","0.03","90","","1605.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Glycinium maleate","","- C6 H9 N O6 -","- C6 H9 N O6 -","- C48 H72 N8 O48 -","8","1","BT6066","Rajagopal, K.; Krishnakumar, R. V.; Mostad, A.; Natarajan, S.","Glycinium maleate","Acta Crystallographica Section E","2001","57","8","o751","o753","10.1107/S1600536801012168","","","0.71073","MoKα","","0.0309","0.0292","","","","0.0824","","","","","","1.11","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200396","17.191","0.003","7.308","0.001","17.843","0.005","90","","104.94","0.03","90","","2165.9","0.8","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[bis(2-pyridyl)amine-N,N'](nitrato-O,O')cobalt(II) nitrate","","- C20 H18 Co N8 O6 -","- C20 H18 Co N8 O6 -","- C80 H72 Co4 N32 O24 -","4","1","BT6068","Castillo, Oscar; Luque, Antonio; De la Pinta, Noelia; Román, Pascual","Bis[bis(2-pyridyl)amine-<i>N</i>,<i>N</i>'](nitrato-<i>O</i>,<i>O</i>')cobalt(II) nitrate","Acta Crystallographica Section E","2001","57","9","m384","m386","10.1107/S1600536801012909","","","0.71073","MoKα","","0.0651","0.034","","","","0.0785","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200397","15.1655","0.0006","15.1655","0.0006","11.0678","0.0007","90","","90","","120","","2204.48","0.19","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Tetraaquadihydroxohexarheniumoctaselenium dodecahydrate","","- H34 O18 Re6 Se8 -","- O18 Re6 Se8 -","- O54 Re18 Se24 -","3","0.0833333","BT6069","Zheng, Zhiping; Selby, Hugh D.; Roland, Bryan K.","The first `hexaaqua-' complex of the [Re~6~Se~8~]^2+^ cluster core, [Re~6~Se~8~(OH)~2~(H~2~O)~4~]·12H~2~O","Acta Crystallographica, Section E: Structure Reports Online","2001","57","9","i77","i79","10.1107/S1600536801013241","","","0.71073","MoKα","","0.049","0.0267","","","","0.0683","","","","","","1.141","","","","has coordinates,has Fobs","210921","2020-10-21","18:00:00",""
"2200398","7.6801","0.0019","13.235","0.003","8.078","0.0016","90","","107.69","0.016","90","","782.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ammonium zinc phosphate","","","- H7 N O8 P2 Zn -","- H7 N O8 P2 Zn -","- H28 N4 O32 P8 Zn4 -","4","1","BT6071","Harrison, William T. A.","Ammonium zinc phosphate, (NH~4~)Zn(HPO~4~)(H~2~PO~4~)","Acta Crystallographica Section E","2001","57","9","i72","i74","10.1107/S1600536801013010","","","0.71073","MoKα","","0.042","0.0307","","","","0.0745","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200399","9.2198","0.0019","10.3158","0.0014","10.7956","0.0011","112.511","0.009","96.598","0.01","93.007","0.01","937","0.3","146","2","146","2","","","","","","","","7","P -1","-P 1","2","","2,2'-bipyridyl-9-boroniumbicyclo[3.3.1]nonane trifluoromethanesulfonate","","- C19 H22 B F3 N2 O3 S -","- C19 H22 B F3 N2 O3 S -","- C38 H44 B2 F6 N4 O6 S2 -","2","1","BT6072","Ma, Kuangbiao; Bats, Jan W.; Wagner, Matthias","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')(bicyclo[3.3.1]nonane-<i>C</i>^1^,<i>C</i>^5^)boronium trifluoromethanesulfonate","Acta Crystallographica Section E","2001","57","9","o846","o848","10.1107/S1600536801013083","","","0.71073","MoKα","","0.0537","0.0379","","","","0.0975","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200400","7.224","0.003","15.38","0.006","12.204","0.005","90","","103.48","0.04","90","","1318.6","1","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1-(2,4,6-trimethylphenyl)ethanolato-O:O]bis(dimethylaluminium)","","- C26 H42 Al2 O2 -","- C26 H42 Al2 O2 -","- C52 H84 Al4 O4 -","2","0.5","BT6073","Clegg, William; Henderson, Kenneth W.; Rakov, Igor M.","Bis[μ-1-(2,4,6-trimethylphenyl)ethanolato-<i>O</i>:<i>O</i>]bis(dimethylaluminium)","Acta Crystallographica Section E","2001","57","9","m387","m389","10.1107/S1600536801013095","","","1.54184","CuKα","","0.0832","0.0765","","","","0.2165","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200401","4.2374","0.0003","4.2374","0.0003","8.8","0.002","90","","90","","90","","158","0.04","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- F I Pb -","- F I Pb -","- F2 I2 Pb2 -","2","0.125","","Weil, Matthias; Kubel, Frank","Matlockite-type PbFI","Acta Crystallographica, Section E","2001","57","","i80","i81","10.1107/S1600536801013678","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200402","4.933","0.0003","8.9074","0.0005","14.8407","0.0008","90","","94.751","0.001","90","","649.86","0.06","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexamethylenediammonium hydrogenphosphite","","- C6 H22 N2 O6 P2 -","- C6 H22 N2 O6 P2 -","- C12 H44 N4 O12 P4 -","2","0.5","BT6077","Mahmoudkhani, Amir H.; Langer, Vratislav","Pillared layered hydrogen-bonded network in hexamethylenediammonium hydrogenphosphite","Acta Crystallographica Section E","2001","57","9","o866","o868","10.1107/S1600536801013587","","","0.71073","MoKα","","0.0576","0.0426","","","","0.1173","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200403","6.9944","0.001","5.8925","0.0008","8.2495","0.0011","90","","90","","90","","340","0.08","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lead gallium borate","","","- B Ga O4 Pb -","- B Ga O4 Pb -","- B4 Ga4 O16 Pb4 -","4","0.5","","Park, Hyunsoo; Jacques Barbier","PbGaBO~4~, an orthoborate with a new structure-type","Acta Crystallographica, Section E","2001","57","","i82","i84","10.1107/S1600536801013940","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2200404","8.52","0.001","15.97","0.002","9.67","0.001","90","","110.77","0.01","90","","1230.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridine-2,2'-dicarboxylic acid dihydrate","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","BT6080","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Sanders, Jeremy K. M.","4,4'-Bipyridine-3,3'-dicarboxylic acid dihydrate","Acta Crystallographica Section E","2001","57","9","o869","o871","10.1107/S1600536801013939","","","0.71073","MoKα","","0.1032","0.0548","","","","0.1082","","","","","","0.941","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200405","8.5512","0.0001","11.8172","0.0001","15.0854","0.0002","90","","90","","90","","1524.4","0.03","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate","Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate","","- C9 H21 Cl Cu N4 O7 -","- C9 H21 Cl Cu N4 O7 -","- C36 H84 Cl4 Cu4 N16 O28 -","4","1","CF6061","Batten, Stuart R.; Spiccia, Leone; Templar, Claire E.","Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate","Acta Crystallographica Section E","2001","57","7","m265","m266","10.1107/S1600536801008972","","","0.71073","MoKα","","0.0414","0.0371","","","","0.0917","","","","","","1.035","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200406","10.394","0.002","10.493","0.003","20.265","0.004","76.03","0.02","79.83","0.02","72.21","0.02","2029.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N(2)-Acetyl-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b]-1,6-naphthyridine","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C104 H88 N8 O4 -","4","2","CF6062","Laavanya, Parthasarathi; Panchanatheswaran, Krishnaswamy; Sivakumar, Balasubramanian; Jeyaraman, Ramasubbu; Krause Bauer, Jeanette A.","<i>N</i>(6)-Acetyl-5,7-diphenyl-5,6,7,8-tetrahydrobenzo[<i>b</i>]-1,6-naphthyridine","Acta Crystallographica Section E","2001","57","7","o599","o601","10.1107/S1600536801009151","","","0.71069","MoKα","","0.1422","0.0554","","","","0.1667","","","","","","0.987","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200407","12.551","0.002","12.551","0.002","40.418","0.005","90","","90","","90","","6367","1.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[Bis(terpy)Cu(II)] 2ClO~4~ * H~2~O","Bis(2,2:6,2-terpyridine)copper(II) diperchlorate monohydrated","","- C30 H24 Cl2 Cu N6 O9 -","- C30 H24 Cl2 Cu N6 O9 -","- C240 H192 Cl16 Cu8 N48 O72 -","8","0.5","CF6064","Valdés-Martínez, Jesús; Toscano, Rubén A.; Salazar-Mendoza, Domingo","Bis(2,2':6',2''-terpyridine)copper(II) diperchlorate hemihydrate","Acta Crystallographica Section E","2001","57","8","m331","m332","10.1107/S160053680100900X","","","0.71073","MoKα","","0.1217","0.0629","","","","0.1905","","","","","","0.883","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200408","14.9803","0.0007","15.0682","0.0008","22.6217","0.0012","90","","90","","90","","5106.3","0.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","tetradimethylammonium hexahydroxytriacontaoxo- (tetraoxophosphato)dodecamolybdate dichloride","","- C8 H44 Cl2 Mo12 N4 O44 P -","- C8 H24 Cl2 Mo12 N4 O44 P -","- C32 H96 Cl8 Mo48 N16 O176 P4 -","4","0.5","CF6065","Wu, Chuan-De; Lu, Can-Zhong; Lin, Xiang; Yang, Wen-Bin; Zhuang, Hong-Hui; Huang, Jin-Shun","[(CH~3~)~2~NH~2~]~4~[H~4~PMo~12~O~40~]Cl~2~·4H~2~O","Acta Crystallographica Section E","2001","57","9","m390","m392","10.1107/S1600536801010467","","","0.71073","MoKα","","0.0449","0.0338","","","","0.0898","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200409","9.891","0.002","15.443","0.001","20.664","0.002","90","","90","","90","","3156.4","0.7","296.2","","","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C26 H24 Cd2 Cl2 N4 O9 -","- C26 H18 Cd2 Cl2 N4 O9 -","- C104 H72 Cd8 Cl8 N16 O36 -","4","0.5","CF6068","Odoko, Mamiko; Isomoto, Noriko; Okabe, Nobuo","Di-μ-chloro-bis[(2-pyridinecarboxylato-<i>N,O</i>)(2-pyridinecarboxylic acid-<i>N,O</i>)cadmium(II)] ethanol solvate","Acta Crystallographica Section E","2001","57","8","m371","m372","10.1107/S1600536801011904","","","0.7107","MoKα","","","0.0352","","","","0.1059","","","","","","1.579","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200410","9.029","0.0007","10.0804","0.0008","12.1751","0.001","72.031","0.002","81.913","0.002","89.545","0.002","1042.86","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","trans-2-(2-hydroxyphenyl)-cyclohexanol","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","2","CF6070","Kandasamy Chinnakali; Thangavel Ravishankar; Kamaraj Sriraghavan; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Vayalakkavoor T.Ramakrishnan","<i>trans</i>-2-(2-Hydroxyphenyl)cyclohexanol","Acta Crystallographica Section E","2001","57","7","o659","o660","10.1107/S160053680101056X","","","0.71073","MoKα","","0.1289","0.0778","","","","0.2227","","","","","","0.961","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200411","8.978","0.001","11.073","0.002","7.2349","0.0007","106.25","0.01","107.399","0.009","78.47","0.01","653.6","0.16","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N2 Ni O10 -","- C24 H32 N2 Ni O10 -","- C24 H32 N2 Ni O10 -","1","0.5","CF6071","Odoko, Mamiko; Muranishi, Yasunori; Okabe, Nobuo","<i>trans</i>-Diaquabis(quinoline-2-carboxylato-<i>N</i>,<i>O</i>)nickel(II)‒water‒ethanol (1/2/2)","Acta Crystallographica Section E","2001","57","7","m267","m269","10.1107/S1600536801009138","","","0.7107","MoKα","","","0.0333","","","","0.1183","","","","","","1.026","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200412","6.345","0.004","11.353","0.008","11.838","0.008","90","","95.684","0.016","90","","848.6","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(4-aminopyridinium) 2,5-dioxidobenzoquinone dihydrate","","- C16 H20 N4 O6 -","- C16 H20 N4 O6 -","- C32 H40 N8 O12 -","2","0.5","CF6075","Cowan, John A.; Howard, Judith A. K.; Leech, Michael A.; Williams, Ian D.","Bis(4-aminopyridinium) 2,5-dioxidobenzoquinone dihydrate","Acta Crystallographica Section E","2001","57","7","o563","o565","10.1107/S1600536801009011","","","0.71073","MoKα","","0.0919","0.068","","","","0.1482","","","","","","1.659","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200413","9.7545","0.0006","12.0427","0.0009","13.5242","0.0018","90","","90","","90","","1588.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-amino-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C6 H6 N4 O2 S -","- C6 H6 N4 O2 S -","- C48 H48 N32 O16 S8 -","8","1","CF6076","Dupont, Léon; De Tullio, Pascal; Boverie, Stéphane; Pirotte, Bernard","3-Amino-4<i>H</i>-pyrido[2,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section E","2001","57","7","o602","o603","10.1107/S1600536801009904","","","1.5418","CuKα","","0.0459","0.0316","","","","0.0895","","","","","","0.956","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200414","26.655","0.005","18.004","0.003","12.623","0.002","90","","91.972","0.003","90","","6054.1","1.8","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(2,6-Diisopropylphenylamino)-4-(2,6-diisopropylphenylimino)-2-pentene","","- C32.5 H46 N2 -","- C29 H42 N2 -","- C232 H336 N16 -","8","1","CF6079","Bailey, Philip J.; Liddle, Stephen T.; Parsons, Simon","2-(2,6-Diisopropylphenylamino)-4-(2,6-diisopropylphenylimino)-2-pentene toluene hemisolvate at 150K","Acta Crystallographica Section E","2001","57","7","o661","o662","10.1107/S1600536801009163","","","0.71073","MoKα","","0.0676","0.0596","","","","0.1408","","","","","","1.139","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200415","7.323","0.003","26.98","0.004","6.897","0.004","90","","90","","90","","1362.7","1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","0.5","CF6080","Cohen, Peter A.; Robinson, Paul D.","2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone (polyporic acid)","Acta Crystallographica Section E","2001","57","7","o596","o598","10.1107/S160053680100914X","","","0.71069","MoKα","","0.068","0.035","","","","0.11","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200416","14.15","0.01","3.622","0.009","15.028","0.01","90","","97.52","0.07","90","","764","2","296.2","","","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","CF6081","Okabe, Nobuo; Kyoyama, Hasuyo; Suzuki, Misato","Gallic acid monohydrate","Acta Crystallographica Section E","2001","57","8","o764","o766","10.1107/S1600536801012041","","","0.7107","MoKα","","","0.0492","","","","0.1875","","","","","","0.907","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200417","5.7159","0.0008","15.8498","0.0014","8.4139","0.0007","90","","101.041","0.007","90","","748.16","0.14","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-diamino-3,5-dinitro-1,4-pyrazine 1-oxide","2,6-diamino-3,5-dinitro-1,4-pyrazine-1-oxide","","- C4 H4 N6 O5 -","- C4 H4 N6 O5 -","- C16 H16 N24 O20 -","4","1","CF6082","Gilardi, Richard D.; Butcher, Ray J.","2,6-Diamino-3,5-dinitro-1,4-pyrazine 1-oxide","Acta Crystallographica Section E","2001","57","7","o657","o658","10.1107/S1600536801010352","","","0.71073","MoKα","","0.0694","0.0399","","","","0.0974","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200418","7.0265","0.0004","18.9749","0.001","7.1157","0.0004","90","","90","","90","","948.72","0.09","100","1","100","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","Potassium (E)-2-Phenyl-1-ethenyltrifluoroborate","","- C8 H7 B F3 K -","- C8 H7 B F3 K -","- C32 H28 B4 F12 K4 -","4","1","CF6083","Thadani, Avinash N.; Batey, Robert A.; Smil, David V.; Lough, Alan J.","Potassium trifluoro[(<i>E</i>)-2-phenyl-1-ethenyl]borate","Acta Crystallographica Section E","2001","57","8","m333","m334","10.1107/S1600536801010169","","","0.71073","MoKα","","0.0291","0.0259","","","","0.0667","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200419","8.0692","0.0006","18.5615","0.0013","12.1622","0.0009","90","","102.061","0.001","90","","1781.4","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pinoresinol","","","- C20 H22 O6 -","- C20 H20.218 O6 -","- C80 H80.872 O24 -","4","1","CF6084","Stomberg, Rolf; Langer, Vratislav; Li, Shiming; Lundquist, Knut","The racemate of pinoresinol","Acta Crystallographica Section E","2001","57","8","o692","o694","10.1107/S1600536801011084","","","0.71073","MoKα","","0.0759","0.0461","","","","0.1461","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200420","12.6506","0.0006","10.1894","0.0005","19.8565","0.0012","90","","107.16","0.005","90","","2445.6","0.2","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","4","","Héctor Novoa de Armas; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet","2-(4-Methoxyphenyl)aminobenzoic acid","Acta Crystallographica, Section E","2001","57","","o638","o640","10.1107/S1600536801010364","","","","","","","","","","","","","","","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200421","20.137","0.004","10.572","0.005","21.81","0.006","90","","103.71","0.01","90","","4511","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl2 Fe N2 Pt -","- C23 H24 Cl2 Fe N2 Pt -","- C184 H192 Cl16 Fe8 N16 Pt8 -","8","2","CF6086","Blake, Alexander J.; Osborne, Anthony G.; Hollands, Ronald E.","<i>fac</i>-(2,2'-Bipyridine)(1,1'-dichloroferrocen-2-yl)trimethylplatinum(IV)","Acta Crystallographica Section E","2001","57","7","m318","m319","10.1107/S1600536801010170","","","0.71073","MoKα","","0.072","0.061","","","","0.168","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200422","15.4741","0.0005","15.0135","0.0005","14.0407","0.0005","90","","115.018","0.001","90","","2955.89","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(pyridine-N)mercury(II) dichromate(VI)","","- C10 H10 Cr2 Hg N2 O7 -","- C10 H10 Cr2 Hg N2 O7 -","- C80 H80 Cr16 Hg8 N16 O56 -","8","1","CF6087","Matthias Weil","[Hg(pyridine)~2~][Cr~2~O~7~], a compound used for a quick assay method to quantify soluble Hg^II^ ions","Acta Crystallographica Section E","2001","57","7","m322","m324","10.1107/S1600536801010455","","","0.71073","MoKα","","0.0241","0.0178","","","","0.0458","","","","","","1.208","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200423","9.931","0.0002","15.545","0.0004","17.923","0.0005","87.499","0.0014","87.935","0.0017","75.334","0.0016","2673.31","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Tetra-n-butylammonium Ferrocenyltrifluoroborate","","- C26 H45 B F3 Fe N -","- C26 H45 B F3 Fe N -","- C104 H180 B4 F12 Fe4 N4 -","4","2","CF6088","Quach, Tan D.; Batey, Robert A.; Lough, Alan J.","Tetra-<i>n</i>-butylammonium ferrocenyltrifluoroborate","Acta Crystallographica Section E","2001","57","7","m320","m321","10.1107/S1600536801010261","","","0.7107","MoKα","","0.0877","0.048","","","","0.1226","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200424","5.768","0.002","17.702","0.003","17.823","0.004","90","","90","","90","","1819.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(Diphenylphosphino)-N-phenylmethylene-1-propanamine","","- C22 H22 N P -","- C22 H22 N P -","- C88 H88 N4 P4 -","4","1","CF6089","Xie Tong; Li Yi-Zhi; Li Bang-Jing; Shi Ling; Wang Liu-Fang; Gao Shi-Yang; Liang Yong-Min","<i>N</i>-Benzylidene-3-(diphenylphosphino)-1-propanamine","Acta Crystallographica Section E","2001","57","9","o858","o859","10.1107/S160053680101203X","","","0.71073","MoKα","","0.0359","0.0313","","","","0.0989","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200425","13.5626","0.0006","17.1534","0.0007","20.3567","0.0007","90","","90","","90","","4735.9","0.3","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetra-n-butylammonium Phenyltrifluoroborate","","- C22 H41 B F3 N -","- C22 H41 B F3 N -","- C176 H328 B8 F24 N8 -","8","1","CF6090","Quach, Tan D.; Batey, Robert A.; Lough, Alan J.","Tetra-<i>n</i>-butylammonium phenyltrifluoroborate","Acta Crystallographica Section E","2001","57","8","o688","o689","10.1107/S1600536801010443","","","0.71073","MoKα","","0.0928","0.0513","","","","0.1299","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200426","8.1997","0.0003","18.2477","0.0006","8.8871","0.0003","90","","95.798","0.001","90","","1322.94","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dihydroxy-3,5-bis(trifluoromethyl)-1,2-dioxolane 1,4-dioxane","","- C9 H12 F6 O6 -","- C9 H12 F6 O6 -","- C36 H48 F24 O24 -","4","1","CF6091","Dickman, Michael H.","3,5-Dihydroxy-3,5-bis(trifluoromethyl)-1,2-dioxolane‒1,4-dioxane (1/1) at 173K","Acta Crystallographica Section E","2001","57","7","o636","o637","10.1107/S1600536801010340","","","0.71073","MoKα","","0.1047","0.0532","","","","0.1052","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200427","5.662","0.002","7.342","0.002","19.157","0.006","90","","94.48","0.03","90","","793.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-alaninium oxalate","DL-alaninium oxalate","","- C5 H9 N O6 -","- C5 H9 N O6 -","- C20 H36 N4 O24 -","4","1","CF6092","M. Subha Nandhini; R. V. Krishnakumar; S. Natarajan","<small>DL</small>-Alaninium oxalate","Acta Crystallographica Section E","2001","57","8","o666","o668","10.1107/S1600536801010558","","","0.71073","Mokα","","0.0574","0.0443","","","","0.126","","","","","","1.123","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200428","15.436","0.001","17.4317","0.0011","8.1756","0.0005","90","","91.195","0.001","90","","2199.4","0.2","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","di-μ-iodo-bis(1,4,7,10,13,16-hexaoxacyclooctadecanecaesium(I)) p-xylene solvate","","- C32 H58 Cs2 I2 O12 -","- C32 H58 Cs2 I2 O12 -","- C64 H116 Cs4 I4 O24 -","2","0.25","CF6095","Kim, Tae Ho; Park, Ki-Min; Lee, Shim Sung; Kim, Jae Sang; Kim, Jineun","The sandwich dimeric form of a Cs^I^ complex of 18-crown-6 with bridging iodide ions","Acta Crystallographica Section E","2001","57","8","m357","m358","10.1107/S1600536801011916","","","0.71073","MoKα","","0.0338","0.0283","","","","0.0753","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200429","10.155","0.005","13.586","0.005","14.972","0.008","80.55","0.05","73.07","0.04","85.4","0.05","1948.1","1.7","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 N2 O8 Re2 -","- C18 H8 N2 O8 Re2 -","- C72 H32 N8 O32 Re8 -","4","2","CF6096","Blake, Alexander J.; George, Michael W.; Little, Emma L.; Turner, James J.","2,2'-Bipyridine(octacarbonyl)dirhenium(<i>Re</i>‒<i>Re</i>)","Acta Crystallographica Section E","2001","57","8","m378","m379","10.1107/S1600536801011278","","","0.71073","MoKα","","0.056","0.046","","","","0.136","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200430","9.258","0.0005","10.9165","0.0006","16.4073","0.0008","90","","91.543","0.001","90","","1657.6","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxo-bis[(1,1,4,7,7-pentamethyldiethylenetriamine)copper(II)] dibromide acetonitrile solvate","","- C22 H54 Br2 Cu2 N8 O2 -","- C22 H54 Br2 Cu2 N8 O2 -","- C44 H108 Br4 Cu4 N16 O4 -","2","0.5","CF6097","Kickelbick, Guido","A centrosymmetric hydroxo-bridged pentamethyldiethylenetriamine copper(II) complex, {[(pmdeta)Cu(OH)]~2~}^2+^·2Br^{-^}·2MeCN","Acta Crystallographica Section E","2001","57","8","m365","m367","10.1107/S1600536801011928","","","0.71073","MoKα","","0.0416","0.031","","","","0.0802","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200431","38.755","0.003","9.378","0.003","22.043","0.002","90","","108.19","0.03","90","","7611","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Dichloro(2,2-diphenyl-4,4,6,6-tetrakis(3,5-dimethylpyrazol-1-yl)- cyclotriphosphazeneCobalt(II)","","","- C32 H38 Cl2 Co N11 P3 -","- C32 H38 Cl2 Co N11 P3 -","- C256 H304 Cl16 Co8 N88 P24 -","8","1","CF6098","Prabakaran, P.; Justin Thomas, K. R.; Thomas Muthiah, P.; Bocelli, G.; Righi, L.","Dichloro[2,2-diphenyl-4,4,6,6-tetrakis(3,5-dimethylpyrazol-1-yl)cyclotriphosphazene]cobalt(II)","Acta Crystallographica Section E","2001","57","9","m399","m401","10.1107/S1600536801013253","","","0.71069","MoKα","","0.1824","0.0482","","","","0.0738","","","","","","0.735","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200432","8.374","0.005","12.762","0.01","14.381","0.009","98.08","0.06","90.12","0.05","107.44","0.05","1450.1","1.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Co(bpb)(Cl)(pyridine)]^.^2CHCl~3~","(chloroN,N'-bis(2'-pyridinecarboxamido)pyridinecobalt(III) 2-chloroform solvate","","- C25 H19 Cl7 Co N5 O2 -","- C25 H19 Cl7 Co N5 O2 -","- C50 H38 Cl14 Co2 N10 O4 -","2","1","CF6099","John M. Rowland; Marilyn M. Olmstead; Pradip K. Mascharak","Chloro[<i>N,N</i>'-<i>o</i>-phenylenebis(pyridine-2-carboxamido)]cobalt(III) chloroform disolvate","Acta Crystallographica Section E","2001","57","8","m368","m370","10.1107/S160053680101193X","","","1.54178","CuKα","","0.1529","0.0993","","","","0.2988","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200433","7.153","0.001","10.29","0.002","37.22","0.008","90","","90","","90","","2739.6","0.9","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2α,3α,5α,20S,22S)-2,3,5,14,20,20,24-Heptahydroxycholest-7-en-6-one monohydrate","","- C27 H46 O9 -","- C27 H46 O9 -","- C108 H184 O36 -","4","1","CF6101","Pan, Yuan-Jiang; Zhou, Hui; Shi, Hao; Lv, Shu-Ming; Jin, Zhi-Min","(2α,3α,5α,20<i>S</i>,22<i>S</i>)-2,3,5,14,20,20,24-Heptahydroxycholest-7-en-6-one monohydrate","Acta Crystallographica Section E","2001","57","9","o849","o851","10.1107/S1600536801013162","","","0.71073","MoKα","","0.0993","0.0407","","","","0.0643","","","","","","0.801","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200434","9.2136","0.0002","10.2904","0.0003","10.9603","0.0003","68.119","0.001","80.83","0.001","75.083","0.001","929.47","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Acetyl-7a'-phenyl-spiro[3H-indole-3,2'(2a'H)oxeto [2,3-b]benzofuran-2(1H)-one","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C48 H34 N2 O8 -","2","1","CF6102","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua","1-Acetyl-7a'-phenylspiro[3<i>H</i>-indole-3,2'(2a'<i>H</i>)-oxeto[2,3-<i>b</i>]benzofuran]-2(1<i>H</i>)-one","Acta Crystallographica Section E","2001","57","9","o852","o854","10.1107/S1600536801013125","","","0.71073","MoKα","","0.0883","0.0644","","","","0.1686","","","","","","0.938","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200435","11.206","0.004","12.811","0.002","16.208","0.004","96.032","0.017","103.54","0.02","113.191","0.016","2028.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Pyridine-2,6-dicarboxylic acid)triaquastrontium(II) tris(pyridine-2,6- dicarboxylato)Ce(IV) hexahydrate","(Pyridine-2,6-dicarboxylic acid)triaquastrontium(II) tris(pyridine-2,6- dicarboxylato)Ce(IV) hexahydrate","","- C28 H32 Ce N4 O25 Sr -","- C28 H14 Ce N4 O25 Sr -","- C56 H28 Ce2 N8 O50 Sr2 -","2","1","CI6024","Sunkari Sailaja; M. V. Rajasekharan","A one-dimensional coordination polymer with alternating CeN~3~O~6~ and SrNO~7~ polyhedra","Acta Crystallographica Section E","2001","57","8","m341","m343","10.1107/S1600536801010741","","","0.71073","MoKα","","0.094","0.067","","","","0.197","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200436","12.3201","0.0012","5.9377","0.0015","14.2908","0.0016","90","0.014","111.369","0.01","90","0.013","973.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(D-phenylglycinium)sulfate monohydrate","Bis(D-phenylglycinium) sulfate monohydrate","","- C16 H22 N2 O9 S -","- C16 H22 N2 O9 S -","- C32 H44 N4 O18 S2 -","2","1","CI6028","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(<small>D</small>-phenylglycinium) sulfate monohydrate","Acta Crystallographica Section E","2001","57","8","o754","o756","10.1107/S1600536801011941","","","0.7107","MoKα","","0.045","0.043","","","","0.133","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200437","10.455","0.003","13.83","0.004","28.548","0.01","90","","90","","90","","4128","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate","","- C21 H20 Cl2 N4 Ni O -","- C21 H20 Cl2 N4 Ni O -","- C168 H160 Cl16 N32 Ni8 O8 -","8","1","CI6029","Fontaine, Frédéric-Georges","<i>cis</i>-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate","Acta Crystallographica Section E","2001","57","7","m270","m271","10.1107/S1600536801007838","","","1.54056","CuKα","","0.088","0.047","","0.112","","0.101","","","0.79","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200438","5.0264","0.0006","20.822","0.002","20.897","0.002","90","","90","","90","","2187.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen bis[L-lysinium(2+)] dichloride perchlorate","Hydrogen bis[L-lysinium(2+)] dichloride perchlorate","","- C12 H31 Cl3 N4 O8 -","- C12 H31 Cl3 N4 O8 -","- C48 H124 Cl12 N16 O32 -","4","1","CI6030","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Hydrogen bis[<small>L</small>-lysinium(2+)] dichloride perchlorate","Acta Crystallographica Section E","2001","57","9","o875","o877","10.1107/S1600536801013484","","","0.7107","MoKα","","0.081","0.069","","","","0.196","","","","","","1.06","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200439","9.806","0.003","5.928","0.003","19.933","0.002","90","","90.696","0.016","90","","1158.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N5 O7 -","- C8 H9 N5 O7 -","- C32 H36 N20 O28 -","4","1","CI6032","Graham Smith; Raymond C. Bott; Urs D. Wermuth","Guanidinium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2001","57","7","o640","o642","10.1107/S1600536801010303","","","0.71069","MoKα","","0.0798","0.04","","","","0.1335","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200440","6.818","0.003","13.288","0.004","30.67","0.014","90","","94.47","0.03","90","","2770.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,8,9,10-Tetrakis(4-chlorophenyl)-1,3-diazaadamantan-6-one","","- C32 H24 Cl4 N2 O -","- C32 H24 Cl4 N2 O -","- C128 H96 Cl16 N8 O4 -","4","1","CI6033","Krishnakumar, R. V.; Subha Nandhini, M.; Vijayakumar, V.; Natarajan, S.; Sundaravadivelu, M.; Perumal, S.; Mostad, A.","4,8,9,10-Tetrakis(4-chlorophenyl)-1,3-diazaadamantan-6-one","Acta Crystallographica Section E","2001","57","9","o860","o862","10.1107/S1600536801013277","","","1.5418","CuKα","","0.102","0.061","","","","0.149","","","","","","1.16","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200441","10.065","0.002","23.178","0.004","9.077","0.003","90","","90","","90","","2117.5","0.9","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Cl N4 -","- C11 H9 Cl N4 -","- C88 H72 Cl8 N32 -","8","1","CI6034","Pifferi, Augusto; Camalli, Mercedes; Silvestri, Romano; De Martino, Gabriella; Massa, Silvio; Artico, Marino","1-Amino-6-chloro-2-(1<i>H</i>-pyrrol-2-yl)benzimidazole (RS 1350)","Acta Crystallographica Section E","2001","57","9","o819","o821","10.1107/S1600536801010856","","","0.71069","MoKα","","0.042","0.042","","0.07","","0.07","","","0.97","","","0.97","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200442","11.662","0.003","7.579","0.002","12.038","0.006","90","","106.89","0.03","90","","1018.1","0.7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F O3 -","- C12 H11 F O3 -","- C48 H44 F4 O12 -","4","1","CI6035","Razzino, Pasquale; Ward, A. David; Tiekink, Edward R. T.","2-(6-Fluoro-5-hydroxy-2-methyl-1<i>H</i>-3-indenyl)acetic acid","Acta Crystallographica Section E","2001","57","7","o643","o644","10.1107/S1600536801010297","","","0.71069","MoKα","","0.079","0.047","","","","0.141","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200443","7.648","0.003","6.872","0.006","24.314","0.002","90","","93.1","0.02","90","","1276","1.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","CI6036","Razzino, Pasquale; Ward, A. David; Tiekink, E. R. T.","4-[(4-Methoxybenzyl)sulfanyl]benzaldehyde","Acta Crystallographica Section E","2001","57","7","o622","o623","10.1107/S160053680101008X","","","0.71069","MoKα","","0.104","0.038","","","","0.099","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200444","14.56","0.002","6.6","0.0012","22.115","0.004","90","","90.7","0.02","90","","2125","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(DL-phenylalaninium)sulfate monohydrate","","","- C18 H26 N2 O9 S -","- C18 H26 N2 O9 S -","- C72 H104 N8 O36 S4 -","4","1","CI6038","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(<small>DL</small>-phenylalaninium) sulfate monohydrate","Acta Crystallographica Section E","2001","57","8","o772","o774","10.1107/S160053680101234X","","","0.71069","MoKα","","0.066","0.046","","","","0.119","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200445","10.3369","0.0004","4.7557","0.0002","14.2208","0.0007","90","","102.495","0.0018","90","","682.52","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylethyl 2-[(1-bromo-2-naphthalenyl)oxy]ethanoate","","- C15 H15 Br O3 -","- C15 H15 Br O3 -","- C30 H30 Br2 O6 -","2","1","CI6040","Janet M. S. Skakle; Solange M. S. V. Wardell","1-Methylethyl 2-[(1-bromo-2-naphthyl)oxy]ethanoate","Acta Crystallographica Section E","2001","57","8","o767","o768","10.1107/S160053680101176X","","","0.71073","MoKα","","0.05","0.042","","","","0.112","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200446","8.6089","0.0005","12.2249","0.0007","17.3057","0.0011","90","","100.86","0.002","90","","1788.68","0.19","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Catena-(μ^2^-(1-Hydroxybenzene-3,5-dicarboxylato-O,O',O'',O''')(1,10-phenanthr oline)manganese(II) hydrate)","","- C20 H14 Mn N2 O6 -","- C20 H14 Mn N2 O6 -","- C80 H56 Mn4 N8 O24 -","4","1","CI6041","J. M. S. Skakle; M. R. St J. Foreman; M. J. Plater","<i>catena</i>-Poly[[[(1,10-phenanthroline)manganese(II)]-μ-(1-hydroxybenzene-3,5-dicarboxylato)] hydrate]","Acta Crystallographica Section E","2001","57","8","m373","m375","10.1107/S1600536801011758","","","0.71073","MoKα","","0.09","0.04","","","","0.079","","","","","","0.85","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200447","10.744","0.005","22.193","0.004","7.079","0.005","90","","90","","90","","1687.9","1.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1'-(phalolyl)bis(benzotriazole)","","- C20 H12 N6 O2 -","- C20 H12 N6 O2 -","- C80 H48 N24 O8 -","4","1","CI6043","Graham Smith; Steven E. Bottle; Damien A. Reid; D. Paul Schweinsberg; Raymond C. Bott","A phthaloyl-linked benzotriazole corrosion inhibitor: 1,1'-(phthaloyl)bis(benzotriazole)","Acta Crystallographica Section E","2001","57","8","o695","o696","10.1107/S1600536801011011","","","0.71069","MoKα","","0.153","0.037","","","","0.138","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200448","8.949","0.002","22.451","0.005","12.712","0.004","90","","90","","90","","2554","1.1","298","","298","","","","","","","","","4","P c c n","-P 2ab 2ac","56","Piperidinium p-nitrobenzoate","Piperidinium p-nitrobenzoate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C96 H128 N16 O32 -","8","1","CI6044","Moritani, Yoshimitsu; Takeda, Akihiko; Kashino, Setsuo","Piperidinium <i>p</i>-nitrobenzoate","Acta Crystallographica Section E","2001","57","8","o707","o708","10.1107/S1600536801010844","","","0.71073","MoKα","","0.15","0.057","","","","0.205","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200449","8.325","0.005","10.957","0.004","10.363","0.004","90","","112.39","0.05","90","","874","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DL-threoninium oxalate","","- C6 H11 N O7 -","- C6 H11 N O7 -","- C24 H44 N4 O28 -","4","1","CI6046","M.Subha Nandhini; R.V. Krishnakumar; R. Malathi; S.S. Rajan; S.Natarajan","<small>DL</small>-Threoninium oxalate","Acta Crystallographica Section E","2001","57","8","o769","o771","10.1107/S1600536801012193","","","1.54178","CuKα","","0.067","0.053","","","","0.175","","","","","","1.1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200450","7.7414","0.0001","10.3084","0.0001","10.9583","0.0002","74.415","0.001","78.835","0.001","81.192","0.001","821.65","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Bromo-5,5-dimethoxybenzo[a]anthracene-6,7,12(5H)trione","","- C20 H13 Br O5 -","- C20 H13 Br O5 -","- C40 H26 Br2 O10 -","2","1","CI6048","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Dey, Satyajit; Mal, Dipakranjan; Nigam, Gur Dayal","2-Bromobenz[<i>a</i>]anthracene-5,6,7,12-tetraone-5-dimethylketal","Acta Crystallographica Section E","2001","57","9","o825","o826","10.1107/S1600536801012892","","","0.71073","MoKα","","0.092","0.066","","","","0.165","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200451","11.1302","0.0002","7.3731","0.0001","24.3816","0.0004","90","","96.95","0.001","90","","1986.15","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1R/1S,5S/5R)-Dichloro-3,6,6-triphenyl-3-azabicyclo[3.2.0]hepta-2,4-dione","","- C24 H17 Cl2 N O2 -","- C24 H17 Cl2 N O2 -","- C96 H68 Cl8 N4 O8 -","4","1","CI6049","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua","1,5-Dichloro-3,6,6-triphenyl-3-azabicyclo[3.2.0]heptane-2,4-dione","Acta Crystallographica Section E","2001","57","8","o792","o793","10.1107/S1600536801012673","","","0.71073","MoKα","","0.064","0.045","","","","0.102","","","","","","0.83","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200452","7.7046","0.0005","10.6062","0.0007","9.3384","0.0006","90","","95.033","0.002","90","","760.16","0.09","297","2","297","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-Aza-bicyclo[3.3.1]nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","CI6050","Howie, R. Alan; Skakle, Janet M. S.","3-Azabicyclo[3.3.1]nonane-2,4-dione: CSP2001 structure prediction test case No. 1","Acta Crystallographica Section E","2001","57","9","o822","o824","10.1107/S1600536801012818","","","0.71073","MoKα","","0.083","0.044","","","","0.123","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200453","7.744","0.005","7.284","0.005","11.653","0.005","90","","92.6","0.005","90","","656.6","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Argininium dinitrate","L-Argininium dinitrate","","- C6 H16 N6 O8 -","- C6 H16 N6 O8 -","- C12 H32 N12 O16 -","2","1","CI6051","Ramaswamy, S.; Sridhar, B.; Ramakrishnan, V.; Rajaram, R. K.","<small>L</small>-Argininium dinitrate","Acta Crystallographica Section E","2001","57","9","o872","o874","10.1107/S1600536801013460","","","1.5418","CuKα","","0.074","0.07","","","","0.218","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200454","10.54","0.002","12.153","0.003","9.786","0.002","106.2","0.03","116.89","0.03","87.18","0.04","1069.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-tert-Butyl-2,6-bis(piperidinomethyl)phenol","","- C22 H36 N2 O -","- C22 H36 N2 O -","- C44 H72 N4 O2 -","2","1","CI6052","Abdul Ajees, A.; Sekar, K.; Marrappan, M.; Kandasamy, M.","4-<i>tert</i>-Butyl-2,6-bis(piperidinomethyl)phenol","Acta Crystallographica Section E","2001","57","9","o878","o880","10.1107/S1600536801013836","","","1.5418","CuKα","","0.059","0.057","","","","0.176","","","","","","1.09","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200455","12.3624","0.0001","13.064","0.0002","17.1439","0.0003","110.066","0.001","93.2","0.001","110.534","0.001","2386.13","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Benzylidene-1'-methyl-4'-phenylcyclohexanespiro-3'-pyrrolidine-2'-spiro- 3''-indoline-2,2''-dione","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","2","CI6054","Jeyabharathi, A.; Ponnuswamy, M. N.; Amal Raj, A.; Raghunathan, R.; Razak, Ibrahim Abdul; Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Benzylidene-1'-methyl-4'-phenylcyclohexanespiro-3'-pyrrolidine-2'-spiro-3''-indoline-2,2''-dione","Acta Crystallographica Section E","2001","57","9","o901","o903","10.1107/S1600536801013964","","","0.71073","MoKα","","0.104","0.057","","","","0.141","","","","","","0.88","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200456","34.826","0.017","3.7296","0.0016","20.703","0.01","90","","110.63","0.05","90","","2517","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diflunisal","","","- C14.5 H7 F2 O3 -","- C14.5 H7 F2 O3 -","- C116 H56 F16 O24 -","8","1","CV6024","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","Diflunisal‒hexane (4/1)","Acta Crystallographica Section E","2001","57","7","o604","o606","10.1107/S1600536801008558","","","0.71069","MoKα","","0.1885","0.0662","","","","0.2003","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200457","21.416","0.001","7.52","0.001","19.487","0.001","90","","117.86","0.01","90","","2774.6","0.5","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1S*,4S*,5R*,8R*)-4,8-Diphenyl-3,7-dioxabicyclo[3.3.0]octan-2-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C144 H128 O24 -","8","1","CV6025","Gelbrich, Thomas; Hursthouse, Michael B.","(1<i>S</i>*,4<i>S</i>*,5<i>R</i>*,8<i>R</i>*)-4,8-Diphenyl-3,7-dioxabicyclo[3.3.0]octan-2-one","Acta Crystallographica Section E","2001","57","7","o566","o567","10.1107/S1600536801008170","","","0.71073","MoKα","","0.0731","0.0509","","","","0.1092","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200458","5.6733","0.0003","9.9375","0.0006","9.9407","0.0006","90","","90","","90","","560.44","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","R-thioproline","(R)-1,3-Thiazolidin-3-ium-4-carboxylate","","- C4 H7 N O2 S -","- C4 H7 N O2 S -","- C16 H28 N4 O8 S4 -","4","1","CV6026","Grant, Neil; Ward, Mark F.; Jaspars, Marcel; Harrison, William T. A.","(<i>R</i>)-1,3-Thiazolidin-3-ium-4-carboxylate","Acta Crystallographica Section E","2001","57","8","o697","o699","10.1107/S1600536801010947","","","0.71073","MoKα","","0.032","0.029","","","","0.079","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200459","7.9665","0.001","8.911","0.01","10.7318","0.001","69.59","0.06","75.783","0.01","80.87","0.08","689.9","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H22 N2 -","- C16 H22 N2 -","- C32 H44 N4 -","2","1","CV6027","Hökelek, Tuncer; Patır, Süleyman; Ergün, Yavuz; Okay, Gürol","2-(1,2,3,4-Tetrahydrocarbazol-2-yl)butylamine","Acta Crystallographica Section E","2001","57","7","o568","o570","10.1107/S1600536801008984","","","1.5418","CuKα","","0.0883","0.0554","","","","0.1573","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200460","21.698","0.004","7.339","0.0015","8.638","0.0017","90","","90","","90","","1375.5","0.5","123","2","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","2-trans-cinnamonyl-acetoacetic acid","2-acetyl-3-oxo-5-pentyl-pent-4-enoic acid ethyl ester","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","CV6028","Arrieta, Antonio F.; Arvid Mostad","Ethyl 2-<i>trans</i>-cinnamoylacetoacetate","Acta Crystallographica Section E","2001","57","8","o669","o671","10.1107/S1600536801010583","","","0.71073","MoKα","","0.0331","0.0313","","","","0.0789","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200461","12.11","0.009","6.084","0.003","15.024","0.011","90","","109.54","0.11","90","","1043.2","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16α-Hydroxy-20-oxopregn-5-en-3β-yl-acetate","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","CV6029","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S.","16α-Hydroxy-20-oxopregn-5-en-3β-yl acetate","Acta Crystallographica Section E","2001","57","7","o571","o573","10.1107/S1600536801008996","","","0.71073","MoKα","","0.0925","0.0405","","","","0.1185","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200462","15.3382","0.0014","8.6418","0.0009","15.9748","0.0011","90","","105.034","0.01","90","","2045","0.3","291","2","291","1","","","","","","","","5","P 1 n 1","P -2yac","7","","benzene-1,3,5-triyltrismethylenetris(diphenylphosphine oxide) acetonitrile solvate monohydrate","","- C47 H44 N O4 P3 -","- C47 H44 N O4 P3 -","- C94 H88 N2 O8 P6 -","2","1","CV6030","Kruszynski, Rafal; Wieczorek, Wanda","Polymorphic form of 1,3,5-tris[(diphenylphosphine oxide)methyl]benzene acetonitrile solvate monohydrate","Acta Crystallographica Section E","2001","57","7","o624","o626","10.1107/S1600536801010157","","","0.71073","MoKα","","0.0794","0.0785","","","","0.164","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200463","9.1308","0.0011","14.0077","0.0019","19.012","0.003","90","","90","","90","","2431.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl2 N6 P2 Pd -","- C18 H24 Cl2 N6 P2 Pd -","- C72 H96 Cl8 N24 P8 Pd4 -","4","0.5","CV6031","Lawrence, Simon E.; Kelly, Maureen; Ní Dhubhghaill, Orla M.","Dichloro-<i>trans</i>-bis[tris(2-cyanoethyl)phosphine]palladium(II)","Acta Crystallographica Section E","2001","57","7","m272","m273","10.1107/S1600536801009278","","","0.71069","MoKα","","0.0385","0.0266","","","","0.0762","","","","","","1.188","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200464","8.7253","0.0001","8.9271","0.0001","11.5975","0.0002","72.68","0.01","71.25","0.01","61.01","0.01","737.16","0.08","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Br N O6 -","- C12 H18 Br N O6 -","- C24 H36 Br2 N2 O12 -","2","1","CV6032","Kožíšek, Jozef; Šafář, Peter; Langer, Vratislav","1-[2-(Dicarboxymethyl)-3-oxocyclopent-4-en-1-yl]pyrrolidin-1-ium bromide hydrate","Acta Crystallographica Section E","2001","57","8","o775","o777","10.1107/S1600536801011266","","","0.71073","MoKα","","0.0365","0.0291","","","","0.0756","","","","","","0.974","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200465","18.581","0.003","5.163","0.002","13.344","0.003","90","","93.71","0.02","90","","1277.5","0.6","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N^6^-benzyladenine hydrobromide","","","- C12 H12 Br N5 -","- C12 H12 Br N5 -","- C48 H48 Br4 N20 -","4","1","CV6033","Umadevi, Balakrishnan; Stanley, Nithianantham; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Cantoni, Andrea","<i>N</i>^6^-Benzyladenine hydrobromide and the solid-state conformation of cytokinins","Acta Crystallographica Section E","2001","57","9","o881","o883","10.1107/S1600536801013629","","","1.54178","CuKα","","0.0674","0.0674","","","","0.1732","","","","","","1.044","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200466","6.765","0.002","13.822","0.002","12.114","0.003","90","","94.92","0.02","90","","1128.6","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Br5 -","- C7 H7 Br5 -","- C28 H28 Br20 -","4","1","CV6034","Hökelek, Tuncer; Çelik, Ïsmail; Tutar, Ahmet; Çakmak, Osman","2,2-<i>exo</i>-3,5,6-Pentabromobicycloheptane","Acta Crystallographica Section E","2001","57","8","o709","o711","10.1107/S1600536801010728","","","0.71073","MoKα","","0.1616","0.064","","","","0.1327","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200467","10.9909","0.0002","10.5488","0.0002","11.3876","0.0002","90","","100.526","0.001","90","","1298.07","0.04","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:4,5-di-O-isopropylidene-β-D-erythro-hexo-2,3-diulo-2,6 -pyranose","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","2","CV6035","Marián Ďurík; Vratislav Langer; Dalma Gyepesová; Júlia Mičová; Bohumil Steiner; Miroslav Koóš","1,2:4,5-Di-<i>O</i>-isopropylidene-β-<small>D</small>-<i>erythro</i>-hexo-2,3-diulo-2,6-pyranose","Acta Crystallographica Section E","2001","57","8","o672","o674","10.1107/S160053680101073X","","","0.71073","MoKα","","0.052","0.0356","","","","0.0914","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200468","6.555","0.0002","10.918","0.0003","20.559","0.0006","90","","93.203","0.0015","90","","1469.06","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[5,10,15,20-meso-Tetrakis(2-thienyl)porphyrinato-κ^4^N]copper(II)","","- C36 H20 Cu N4 S4 -","- C36 H20 Cu N4 S4 -","- C72 H40 Cu2 N8 S8 -","2","0.5","CV6036","Yael Diskin-Posner; Srinivasan Balasubramanian; Goutam Kumar Patra; Israel Goldberg","[5,10,15,20-<i>meso</i>-Tetrakis(2-thienyl)porphyrinato-κ^4^<i>N</i>]copper(II)","Acta Crystallographica Section E","2001","57","8","m346","m348","10.1107/S1600536801011308","","","0.7107","MoKα","","0.0524","0.0459","","","","0.1299","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200469","9.078","0.001","5.761","0.002","21.372","0.002","90","","100.341","0.008","90","","1099.6","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-bis(diphenylarsino)ethane","","- C26 H24 As2 -","- C26 H24 As2 -","- C52 H48 As4 -","2","0.5","CV6037","Hill, Nicholas J.; Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylarsino)ethane","Acta Crystallographica Section E","2001","57","8","o700","o701","10.1107/S1600536801010959","","","0.71073","MoKα","","0.0311","0.0241","","","","0.0665","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200470","8.683","0.003","15.159","0.006","11.151","0.003","90","","91.06","0.03","90","","1467.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(1-Benzenesulfonyl-4-acetylpyrrol-3-yl)acetamide","N-(1-Benzenesulfonyl-4-acetylpyrrol-3-yl)acetamide","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","CV6038","Grossie, David A; Ketcha, Daniel; Johyne P. Brooke; Scott A. Jones; Jonathan G. Grieb","<i>N</i>-(1-Benzenesulfonyl-4-acetylpyrrol-3-yl)acetamide","Acta Crystallographica Section E","2001","57","8","o778","o780","10.1107/S160053680101131X","","","0.71069","MoKα","","0.0714","0.0592","","","","0.1817","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200471","12.978","0.002","16.518","0.002","23.95","0.004","90","","90","","90","","5134.2","1.3","213.2","","213.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Cl2 Cu N6 O8 -","- C20 H34 Cl2 Cu N6 O8 -","- C160 H272 Cl16 Cu8 N48 O64 -","8","1","CV6040","Daly, Robert I.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L.","{2-(4,7-Dimethyl-1,4,7-triazacyclonon-1-yl)-<i>N</i>-methyl-<i>N</i>-[(1-methylbenzimidazol-2-yl)methyl]ethylamine}copper(II) bis(perchlorate)","Acta Crystallographica Section E","2001","57","8","m355","m356","10.1107/S1600536801011540","","","1.5418","CuKα","","","0.054","","","","0.165","","","","","","1.377","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200472","10.367","0.001","6.343","0.001","23.361","0.002","90","","100.98","0.01","90","","1508","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-p-Toluidinoanthracene","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","CV6042","Lahlou, Souad; Kerbal, Abdelali; Janati, Tajdine; Lyazidi, Saîda Aît; Bitit, Najib; El-Bali, Brahim; Bolte, Michael","9-<i>p</i>-Toluidinoanthracene","Acta Crystallographica Section E","2001","57","8","o733","o734","10.1107/S1600536801011539","","","0.71073","MoKα","","0.087","0.0491","","","","0.1397","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200473","5.5973","0.0002","18.5701","0.0005","11.8195","0.0003","90","","91.304","0.001","90","","1228.23","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-p-Toluoylquinoxaline","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","CV6043","Chowdhury, Krishna; Mukhopadhyay, Rupa; Mukherjee, Monika; Broder, Charlotte K.; Kundu, Nitya G.","2-<i>p</i>-Toluoylquinoxaline","Acta Crystallographica Section E","2001","57","8","o794","o795","10.1107/S1600536801012491","","","0.71073","MoKα","","0.0507","0.0433","","","","0.1273","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200474","7.5206","0.0015","3.9367","0.0008","25.881","0.005","90","","96.84","0.03","90","","760.8","0.3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-bromo-2-hydroxybenzene-1,3-dicarbaldehyde","","- C8 H5 Br O3 -","- C8 H5 Br O3 -","- C32 H20 Br4 O12 -","4","1","CV6044","Duclos, Séverine; Therrien, Bruno; Ward, Thomas R.","5-Bromo-2-hydroxybenzene-1,3-dicarbaldehyde","Acta Crystallographica Section E","2001","57","9","o884","o885","10.1107/S1600536801013630","","","0.71073","MoKα","","0.0532","0.0449","","","","0.1223","","","","","","1.149","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200475","9.1991","0.0011","7.384","0.0005","25.694","0.003","90","","100.03","0.009","90","","1718.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cyclohexyl furan carboxylate derivative","2-(1-Naphthyl)cyclohexyl 3-furancarboxylate","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","CV6045","Parvez, Masood; Hunt, Ian R.; Keay, Brian A.","2-(1-Naphthyl)cyclohexyl 3-furancarboxylate","Acta Crystallographica Section E","2001","57","8","o800","o801","10.1107/S1600536801012508","","","0.71069","MoKα","","0.26","0.053","","","","0.242","","","","","","0.955","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200476","5.5332","0.0011","12.841","0.002","20.088","0.003","90","","96.52","0.02","90","","1418.1","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cyclohexyl furan carboxylate derivative","2-Phenyl-cyclohexyl-3-furan carboxylate","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","CV6046","Parvez, Masood; Hunt, Ian R.; Keay, Brian A.","2-Phenylcyclohexyl 3-furancarboxylate","Acta Crystallographica Section E","2001","57","8","o802","o803","10.1107/S160053680101251X","","","0.71069","MoKα","","0.165","0.05","","","","0.221","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200477","21.774","0.003","10.694","0.002","18.43","0.003","90","","122.38","0.01","90","","3624.2","1.1","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cyclohexyl furan carboxylate derivative","2-(1-Naphthyl)cyclohexyl 2-methylfuran-3-carboxylate","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","CV6047","Parvez, Masood; Hunt, Ian R.; Keay, Brian A.","2-(1-Naphthyl)cyclohexyl 2-methylfuran-3-carboxylate","Acta Crystallographica Section E","2001","57","8","o804","o805","10.1107/S1600536801012521","","","0.71069","MoKα","","0.123","0.042","","","","0.146","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200478","5.9896","0.0011","15.5307","0.0015","8.8471","0.0011","90","","106.934","0.012","90","","787.3","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","racemic 7-oxabicyclo[2.2.1]heptane-5-exo-iodo-6-endo-hydroxy-2-endo- carboxylic acid-γ-lactone","","- C7 H7 I O3 -","- C7 H7 I O3 -","- C28 H28 I4 O12 -","4","1","CV6048","Smith, Graham; Bott, Raymond C.; Jenkins, Ian D.; Wermuth, Urs D.","Racemic 7-oxabicyclo[2.2.1]heptane-5-<i>exo</i>-iodo-6-<i>endo</i>-hydroxy-2-<i>endo</i>-carboxylic acid-γ-lactone","Acta Crystallographica Section E","2001","57","8","o806","o808","10.1107/S1600536801012661","","","0.71069","MoKα","","0.0396","0.0286","","","","0.0772","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200479","7.83","0.002","13.683","0.003","7.296","0.002","90","","90","","90","","781.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-Dinitrotoluene","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","CV6049","Jing-Jing Nie; Duan-Jun Xu; Zhen-Yu Li; Michael Y. Chiang","2,6-Dinitrotoluene","Acta Crystallographica Section E","2001","57","9","o827","o828","10.1107/S1600536801013022","","","0.71073","MoKα","","0.0541","0.0461","","0.1439","","0.1326","","","1.046","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200480","11.8692","0.0003","6.0255","0.0002","29.7783","0.0006","90","","94.221","0.001","90","","2123.9","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Bis(5-Carbomethoxy-2-thienyl)phenyl sulfide","","- C24 H18 O4 S3 -","- C24 H18 O4 S3 -","- C96 H72 O16 S12 -","4","0.5","CV6050","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; Dipanjan Pan; Jayanta Kumar Ray","Bis[4-(5-methoxycarbonyl-2-thienyl)phenyl] sulfide","Acta Crystallographica Section E","2001","57","9","o842","o843","10.1107/S1600536801013034","","","0.71073","MoKα","","0.0743","0.0528","","","","0.1505","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200481","8.4871","0.0002","10.0561","0.0002","16.0181","0.0001","90","","96.536","0.001","90","","1358.21","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-fluoro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline","","- C18 H14 F N -","- C18 H14 F N -","- C72 H56 F4 N4 -","4","1","CV6051","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; Dipanjan Pan; Jayanta Kumar Ray","10-Fluoro-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline","Acta Crystallographica Section E","2001","57","9","o844","o845","10.1107/S1600536801013046","","","0.71073","MoKα","","0.0956","0.0538","","","","0.1482","","","","","","0.899","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200482","12.6246","0.0003","13.0962","0.0003","21.2134","0.0005","90","","90","","90","","3507.3","0.14","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","no","17S,20S-Dihydrofusidic acid diethylene glycol hydrate","","- C35 H62 O10 -","- C35 H62 O10 -","- C140 H248 O40 -","4","1","DN6000","Søtofte, Inger; Duvold, Tore","A new potent fusidic acid analogue","Acta Crystallographica Section E","2001","57","9","o829","o831","10.1107/S1600536801012776","","","0.71073","MoKα","","0.0829","0.0689","","0.1946","","0.175","","","1.151","","","1.125","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200483","9.5437","0.0005","11.8437","0.0006","10.1523","0.0003","90","","113.638","0.003","90","","1051.26","0.09","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","DN6001","Attar, K. H.; El Azaoui, B.; Benchidmi, M.; Essassi, E. M.; Pierrot, M.","2-[(5-Méthylisoxazol-3-yl)méthyl]benzimidazole","Acta Crystallographica Section E","2001","57","8","o809","o810","10.1107/S1600536801012740","","","0.71073","MoKα","","0.046","0.04","","0.054","","0.054","","","1.154","","","1.195","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200484","12.56","0.002","7.243","0.002","13.387","0.002","90","","117.96","0.02","90","","1075.7","0.4","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-oxalato-bis[aqua(diethylenetriamine)nickel(II)] dinitrate","","- C10 H30 N8 Ni2 O12 -","- C10 H30 N8 Ni2 O12 -","- C20 H60 N16 Ni4 O24 -","2","0.5","DN6002","Guzmán-Miralles, Carmen; Castillo, Oscar; Luque, Antonio; Beitia, Javier I.; Román, Pascual","μ-Oxalato-bis[aqua(diethylenetriamine)nickel(II)] dinitrate","Acta Crystallographica Section E","2001","57","9","m407","m409","10.1107/S1600536801013344","","","0.71073","MoKα","","0.0594","0.0325","","","","0.0889","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200485","14.4988","0.0002","17.1659","0.0001","18.1536","0.0005","90","","90","","90","","4518.16","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(μ-1,4-benzenedicarboxylate)tetrakis(dimethyl sulfoxide)di-μ~3~-hydroxo-tetrazinc dihydrate","","- C32 H42 O20 S4 Zn4 -","- C32 H42 O20 S4 Zn4 -","- C128 H168 O80 S16 Zn16 -","4","0.5","NA6080","Wang, Ruihu; Hong, Maochun; Liang, Yucang; Cao, Rong","Tris(μ-1,4-benzenedicarboxylate)tetrakis(dimethyl sulfoxide)di-μ~3~-hydroxo-tetrazinc dihydrate","Acta Crystallographica Section E","2001","57","7","m277","m279","10.1107/S1600536801009175","","","0.71073","MoKα","","0.0997","0.052","","","","0.1275","","","","","","1.051","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2200486","23.6702","0.0005","13.5602","0.0003","16.6057","0.0004","90","","126.717","0.0011","90","","4272.49","0.18","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","cis-Bis[2-(2-pyridyl)-4-methoxycarbonylquinoline](2,2'-bipyridine)ruthenium(II) hexafluorophosphate","","- C42 H32 F12 N6 O4 P2 Ru -","- C42 H32 F12 N6 O4 P2 Ru -","- C168 H128 F48 N24 O16 P8 Ru4 -","4","0.5","NA6081","Farah, Abdiaziz A.; Zobi, Fabio; Stynes, Dennis V.; Lough, Alan J.; Pietro, William J.","<i>cis</i>-(2,2'-Bipyridine)bis[2-(2-pyridyl)-4-methoxycarbonylquinoline]ruthenium(II) hexafluorophosphate","Acta Crystallographica Section E","2001","57","7","m274","m276","10.1107/S1600536801008765","","","0.71073","MoKα","","0.0493","0.0426","","","","0.1104","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200487","10.094","0.0002","13.5844","0.0003","16.1679","0.0003","90","","90","","90","","2216.96","0.08","293","1","293","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","1","NA6082","Linker, Manuela; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(20<i>S</i>)-Methyl-3-oxochola-1,4,22-trien-24-oate","Acta Crystallographica Section E","2001","57","7","o574","o575","10.1107/S1600536801008789","","","0.71073","MoKα","","0.1294","0.0525","","","","0.1226","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200488","10.4164","0.0002","7.5425","0.0002","14.4209","0.0003","90","","107.762","0.0011","90","","1078.98","0.04","293","1","293","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","NA6083","Linker, Manuela; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(20<i>R</i>)-Methyl-3-oxochola-1,4,22-trien-24-oate","Acta Crystallographica Section E","2001","57","7","o576","o577","10.1107/S1600536801008777","","","0.71073","MoKα","","0.1014","0.047","","","","0.1139","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200489","5.929","0.001","8.195","0.007","11.503","0.002","90","","100.06","0.01","90","","550.3","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-serinium D-serine nitrate","D-serinium D-serine nitrate","","- C6 H15 N3 O9 -","- C6 H15 N3 O9 -","- C12 H30 N6 O18 -","2","1","NA6085","Ravikumar, B.; Sridhar, B.; Rajaram, R. K.","<small>D</small>-Serinium <small>D</small>-serine nitrate","Acta Crystallographica Section E","2001","57","8","o682","o684","10.1107/S1600536801009035","","","0.71073","MoKα","","0.0359","0.0263","","","","0.0743","","","","","","0.947","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200490","8.34","0.0013","8.9291","0.0011","10.724","0.002","102.576","0.013","107.704","0.015","119.667","0.011","592","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","Bis(L-histidinium sulfate) trihydrate","Bis(L-histidinium sulfate) trihydrate","","- C6 H14 N3 O7.5 S -","- C6 H14 N3 O7.515 S -","- C12 H28 N6 O15.03 S2 -","2","2","NA6086","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(<small>L</small>-histidinium sulfate) trihydrate","Acta Crystallographica Section E","2001","57","7","o607","o609","10.1107/S1600536801009758","","","1.5418","CuKα","","0.0524","0.0519","","","","0.1475","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200491","10.0991","0.0011","14.1486","0.0015","16.205","0.003","90","","100.85","0.01","90","","2274.1","0.6","298","2","298","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23 H21 Cl3 Fe N2 O Pt -","- C23 H21 Cl3 Fe N2 O Pt -","- C92 H84 Cl12 Fe4 N8 O4 Pt4 -","4","1","NA6087","Blake, Alexander J.; Osborne, Anthony G.; Hollands, R. E.","Acetyl(2,2'-bipyridine)chloro(1,1'-dichloroferrocen-2-yl)methylplatinum(IV)","Acta Crystallographica Section E","2001","57","7","m313","m314","10.1107/S1600536801009862","","","0.71073","MoKα","","0.0936","0.0544","","","","0.135","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200492","9.482","0.001","9.859","0.001","10.324","0.002","74.995","0.002","74.022","0.002","85.559","0.003","896.2","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","[V^V^O(salen)(H~2~O)](NO~3~),0.76H~2~O","N,N'-ethylene-bis(salicylideneaminato-N,O oxovanadium(V) nitrate hydrate(0.76)","","- C16 H17.52 N3 O7.76 V -","- C16 H17.18 N3 O7.76 V -","- C32 H34.36 N6 O15.52 V2 -","2","1","NA6088","Peter Hald; Alan Hazell; Torben R. Jensen; Helle F. Jensen; Jens-Erik Jørgensen","Aqua[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneaminato-<i>N</i>,<i>O</i>)]oxovanadium(V) nitrate 0.76-hydrate","Acta Crystallographica Section E","2001","57","7","m310","m312","10.1107/S1600536801009850","","","0.71073","MoKα","","","0.036","","","","0.04","","","","","","0.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2200493","7.654","0.003","8.972","0.004","9.132","0.005","93.34","0.04","102.63","0.04","107.79","0.04","577.4","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis([9]aneS~3~)nickel(II) dibromide tetrahydrate","Bis(1,4,7-trithiacyclononane-S,S',S"")nickel(II) dibromide tetrahydrate","","- C12 H32 Br2 Ni O4 S6 -","- C12 H32 Br2 Ni O4 S6 -","- C12 H32 Br2 Ni O4 S6 -","1","0.5","NA6089","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Hubberstey, Peter; Keppie, Ian J.; Schröder, Martin; Marr, Andrew C.","Bis(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')nickel(II) dibromide tetrahydrate","Acta Crystallographica Section E","2001","57","8","m376","m377","10.1107/S1600536801011187","","","0.71073","MoKα","","0.0446","0.0376","","","","0.0915","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200494","13.259","0.005","14.383","0.004","15.635","0.004","90","","90","","90","","2981.7","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl4 O2 -","- C14 H14 Cl4 O2 -","- C112 H112 Cl32 O16 -","8","1","NA6090","Blake, Alexander J.; Dietel, Anja; Li, Wan-Sheung; Thomas, Neil R.; Marr, Andrew C.","1,2,3,4-Tetrachloro-11,11-dimethoxy-1,4,5,6,9,10-hexahydro-<i>endo</i>-1,4-<i>exo</i>-6,9-dimethanonaphthalene","Acta Crystallographica Section E","2001","57","8","o790","o791","10.1107/S1600536801011564","","","0.71073","MoKα","","0.044","0.035","","","","0.082","","","","","","1.19","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200495","9.5802","0.0012","10.692","0.0013","12.2069","0.0011","112.203","0.003","101.145","0.005","90.376","0.003","1131.5","0.2","301","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cu N6 Ni2 O10 -","- C44 H52 Cu N6 Ni2 O10 -","- C44 H52 Cu N6 Ni2 O10 -","1","0.5","OB6038","Arıcı, Cengiz; Ülkü, Dinçer; Tahir, M. Nawaz; Atakol, Orhan","Bis{(μ-acetato)(<i>N</i>,<i>N</i>'-dimethylformamide)[μ-bis(salicylidene)-1,3-propanediaminato]nickel(II)}copper(II)","Acta Crystallographica Section E","2001","57","7","m283","m285","10.1107/S160053680100753X","","","0.71073","MoKα","","","0.032","","","","0.085","","","","","","0.93","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200496","6.7899","0.0017","8.071","0.002","16.152","0.004","90","","94.76","0.005","90","","882.1","0.4","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1,4-diazacycloheptane-N,N')nickel(II) diperchlorate","","- C10 H24 Cl2 N4 Ni O8 -","- C10 H24 Cl2 N4 Ni O8 -","- C20 H48 Cl4 N8 Ni2 O16 -","2","0.5","OB6042","Ya-Mei Guo; Miao Du; Xian-He Bu","Bis(1,4-diazacycloheptane-<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section E","2001","57","7","m280","m282","10.1107/S1600536801008030","","","0.71073","MoKα","","0.091","0.0511","","","","0.1411","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200497","7.2978","0.0003","14.9895","0.0005","19.6091","0.0006","90","","91.042","0.001","90","","2144.69","0.13","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H13 Cl2 N6 -","- C25 H13 Cl2 N6 -","- C100 H52 Cl8 N24 -","4","1","OB6044","Kazumasa Ueda; Toyonari Sugimoto; Tomoyuki Mochida","<i>N</i>-Methylphenazinium 2,5-dichloro-7,7',8,8'-tetracyanoquinodimethanide","Acta Crystallographica Section E","2001","57","7","o578","o580","10.1107/S1600536801008753","","","0.7107","MoKα","","","0.0419","","","","0.1219","","","","","","1.316","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200498","10.2233","0.0003","6.3323","0.0003","13.5389","0.0006","90","","107.587","0.002","90","","835.5","0.06","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Piperazine dihydrochloride monohydrate","","- C4 H14 Cl2 N2 O -","- C4 H14 Cl2 N2 O -","- C16 H56 Cl8 N8 O4 -","4","0.5","OB6045","Dehghanpour, Saeed; Mahmoudkhani, Amir H.; Langer, Vratislav","Redetermination of piperazine dihydrochloride monohydrate","Acta Crystallographica Section E","2001","57","7","o610","o611","10.1107/S1600536801009771","","","0.71073","MoKα","","0.0845","0.0518","","","","0.1489","","","","","","1.017","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200499","10.799","0.003","12.113","0.004","13.775","0.004","104.47","0.04","99.4","0.03","101.26","0.05","1667.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","trans-5,6a-Dihydro-5-phenylisoindolo[1,2-b]benz[1,3]oxazepin-11-one","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","2","OB6046","Viktor Kettmann; Jan Lokaj; Christoph Kratky; Stefan Marchalin; Jana Sikoraiova","<i>trans</i>-5,6a-Dihydro-5-phenylisoindolo[1,2-<i>b</i>]benz[1,3]oxazepin-11-one","Acta Crystallographica Section E","2001","57","7","o612","o614","10.1107/S1600536801009898","","","0.71073","MoKα","","0.0999","0.0736","","","","0.1939","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200500","23.096","0.004","6.281","0.009","11.648","0.001","90","","116.122","0.009","90","","1517","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Bis(L-threoninium)sulfate monohydrate","Bis(L-threoninium) sulfate monohydrate","","- C8 H22 N2 O11 S -","- C8 H22 N2 O11 S -","- C32 H88 N8 O44 S4 -","4","1","OB6047","Sridhar, B.; Srinivasan, N.; Rajaram, R. K.","Bis(<small>L</small>-threoninium) sulfate monohydrate","Acta Crystallographica Section E","2001","57","7","o581","o583","10.1107/S1600536801008960","","","0.71073","MoKα","","0.0336","0.0322","","","","0.0936","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200501","16.774","0.004","5.9697","0.0009","14.5276","0.0018","90","","98.66","0.02","90","","1438.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(DL-aspartic acid) sulfate","Bis(DL-aspartic acid) sulfate","","- C8 H16 N2 O12 S -","- C8 H16 N2 O12 S -","- C32 H64 N8 O48 S4 -","4","1","OB6050","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(<small>DL</small>-aspartic acid) sulfate","Acta Crystallographica Section E","2001","57","8","o679","o681","10.1107/S1600536801010054","","","0.71069","MoKα","","0.0447","0.0355","","","","0.1073","","","","","","0.814","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200502","27.0286","0.0004","27.0286","0.0004","13.6117","0.0005","90","","90","","90","","9944","0.4","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","6-(p-methly-benzly)6H-perchlorobenzo[cd]pyrene","","","- C26 H8 Cl10 -","- C26 H8 Cl10 -","- C416 H128 Cl160 -","16","1","OB6051","Yin Peng; Su-yuan Xie; Rong-bin Huang; Lan-sun Zheng","6-(<i>p</i>-Tolyl)-6<i>H</i>-perchlorobenzo[<i>cd</i>]pyrene","Acta Crystallographica Section E","2001","57","7","o617","o618","10.1107/S1600536801010066","","","0.71073","MoKα","","0.1717","0.0659","","","","0.1245","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200503","10.7493","0.0002","15.2255","0.0001","10.7828","0.0002","90","","93.84","0.001","90","","1760.79","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-4,4'-bipridine Hexacosaoxooctamolybdate","","- C20 H20 Mo8 N4 O26 -","- C20 H20 Mo8 N4 O26 -","- C40 H40 Mo16 N8 O52 -","2","0.5","OB6052","Chuan-De Wu; Can-Zhong Lu; Hong-Hui Zhuang; Jin-Shun Huang","Bis[4,4'-bipyridinium(2+)] hexacosaoxooctamolybdate","Acta Crystallographica Section E","2001","57","8","m349","m351","10.1107/S1600536801010546","","","0.71073","MoKα","","","0.0215","","","","0.054","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200504","10.474","0.001","30.475","0.002","10.572","0.001","90","","111.54","0.01","90","","3138.9","0.5","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cl2 N8 Ni O8 -","- C24 H40 Cl2 N8 Ni O8 -","- C96 H160 Cl8 N32 Ni4 O32 -","4","1","OB6053","Daly, Robert I.; Taylor, Max R.; Martin, Lisandra L.","Acetonitrile{<i>N</i>-[2-(4,7-dimethyl-1,4,7-triazacyclonon-1-yl)ethyl]-<i>N</i>-[(1-methylbenzimidazol-2-yl)methyl]methylamine}nickel(II) bis(perchlorate) acetonitrile solvate","Acta Crystallographica Section E","2001","57","7","m315","m317","10.1107/S1600536801009837","","","0.71073","MoKα","","0.078","0.053","","0.132","","0.118","","","1.649","","","1.63","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2200505","6.0475","0.001","25.808","0.004","8.6101","0.001","90","","101.853","0.011","90","","1315.2","0.3","299","","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C44 H52 Cl4 N8 O20 -","4","1","OB6054","Hiroyuki Ishida; Bilkish Rahman; Setsuo Kashino","Morpholinium 4-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2001","57","7","o627","o629","10.1107/S1600536801009941","","","0.71073","MoKα","","0.064","0.05","","0.115","","0.098","","","1.19","","","1.19","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200506","10.6482","0.0015","5.9079","0.0012","21.084","0.003","90","","102.722","0.01","90","","1293.8","0.4","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C44 H52 Cl4 N8 O20 -","4","1","OB6055","Hiroyuki Ishida; Bilkish Rahman; Setsuo Kashino","Morpholinium 5-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2001","57","7","o630","o632","10.1107/S1600536801009953","","","0.71073","MoKα","","0.077","0.057","","0.109","","0.09","","","1.14","","","1.14","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200507","5.6304","0.0015","7.2353","0.0015","19.597","0.003","90","","90","","90","","798.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alaninium oxalate","","- C5 H9 N O6 -","- C5 H9 N O6 -","- C20 H36 N4 O24 -","4","1","OB6056","Subha Nandhini, M.; Krishnakumar, R. V.; S. Natarajan","<small>L</small>-Alaninium oxalate","Acta Crystallographica Section E","2001","57","7","o633","o635","10.1107/S1600536801010042","","","1.5418","CuKα","","0.0312","0.0304","","","","0.0826","","","","","","1.092","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200508","14.446","0.003","3.963","0.001","17.807","0.007","90","","98.59","0.02","90","","1008","0.5","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H7 Br N2 O -","- C12 H7 Br N2 O -","- C48 H28 Br4 N8 O4 -","4","1","OB6057","Hökelek, Tuncer; Kılıç, Emine; Dinçer, Sebla","2-Bromobenzo[<i>c</i>]cinnoline 6-oxide","Acta Crystallographica Section E","2001","57","7","o645","o647","10.1107/S1600536801010236","","","0.71073","MoKα","","","0.058","","","","0.051","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200509","9.3189","0.0002","11.6565","0.0003","12.059","0.0001","80.845","0.001","86.638","0.001","89.051","0.001","1290.97","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C26 H32 Cd0.50 N5 O5","trans-Diaquatetrakis(4,4'-methylenediphenylamine-N)cadmium(II) dinitrate dihydrate","","- C52 H64 Cd N10 O10 -","- C52 H64 Cd N10 O10 -","- C52 H64 Cd N10 O10 -","1","0.5","OB6060","Wang, Ruihu; Hong, Maochun; Weng, Jiabao; Cao, Rong; Liang, Yucang; Zhao, Yingjun","<i>trans</i>-Diaquatetrakis(4,4'-methylenediphenylamine-<i>N</i>)cadmium(II) dinitrate dihydrate","Acta Crystallographica Section E","2001","57","8","m344","m345","10.1107/S1600536801011072","","","0.71073","MoKα","","0.0588","0.0442","","","","0.1259","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200510","10.0948","0.001","11.2408","0.001","14.055","0.003","85.524","0.011","71.679","0.011","89.852","0.014","1509","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","2-[[2-[2-[2-[2-[2-(2-Hydroxyethoxy)phenoxy]ethoxy]phenoxy]ethoxy] phenoxy]methyl]benzoato-aquarubidium monohydrate","","- C32 H35 O11 Rb -","- C32 H35 O11 Rb -","- C64 H70 O22 Rb2 -","2","1","OB6061","Kasuga, N. C.; Kanda, Ryu-suke; Yamaguchi, Kazuo; Shiro, Motoo","The rubidium salt of an ω-hydroxycarboxylic acid with six ethereal O atoms","Acta Crystallographica Section E","2001","57","9","m410","m412","10.1107/S1600536801014076","","","0.71069","MoKα","","0.074","0.0397","","","","0.1148","","","","","","0.936","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200511","7.2643","0.0004","10.6393","0.0006","15.6331","0.0013","90","","90","","90","","1208.24","0.14","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7-β-bromo-(-)-camphorsulfonimide","[3aS-(3aα,6α,7β)]-7-bromo-4,5,6,7-tetrahydro-8,8-dimethyl- 3H-3a,6-methano-2,1-benzisothiazole-2,2-dioxide","","- C10 H14 Br N O2 S -","- C10 H14 Br N O2 S -","- C40 H56 Br4 N4 O8 S4 -","4","1","OB6062","Fronczek, Frank R.; Garcia, J. Gabriel","(7-<i>endo</i>-Bromocamphorylsulfonyl)imine","Acta Crystallographica Section E","2001","57","9","o886","o887","10.1107/S1600536801013824","","","1.5418","CuKα","","0.061","0.057","","","","0.162","","","","","","1.152","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200512","4.9846","0.0002","20.604","0.002","20.663","0.002","90","","90","","90","","2122.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis( L-Lysinium(+)) hydrogen dichloride nitrate","Bis( L-Lysinium(+)) hydrogen dichloride nitrate","","- C12 H31 Cl2 N5 O7 -","- C12 H31 Cl2 N5 O7 -","- C48 H124 Cl8 N20 O28 -","4","1","OB6065","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","<small>L</small>-Lysine <small>L</small>-lysinium dichloride nitrate","Acta Crystallographica Section E","2001","57","9","o888","o890","10.1107/S1600536801014040","","","0.7107","MoKα","","0.1185","0.0616","","","","0.1897","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200513","9.773","0.001","17.404","0.002","7.44","0.001","90","","90","","90","","1265.5","0.3","295","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu N4 O4 -","- C12 H8 Cu N4 O4 -","- C48 H32 Cu4 N16 O16 -","4","0.5","OM6023","Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry","Second crystal form of dinitrito(1,10-phenanthroline)copper(II)","Acta Crystallographica Section E","2001","57","7","m286","m287","10.1107/S1600536801007863","","","0.71073","MoKα","","","0.0369","","","","0.109","","","","","","1.154","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200514","21.134","0.002","6.2537","0.0011","7.979","0.002","90","","90","","90","","1054.6","0.3","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","","α-bromoisopropyl phenyl sulfone","","- C9 H11 Br O2 S -","- C9 H11 Br O2 S -","- C36 H44 Br4 O8 S4 -","4","1","OM6024","Robinson, Paul D.; Parady, Thomas E.; Hou, Yuqing; Meyers, Cal Y.","2-Bromo-2-propyl phenyl sulfone","Acta Crystallographica Section E","2001","57","7","o584","o586","10.1107/S1600536801007516","","","0.71069","MoKα","","0.073","0.034","","","","0.094","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200515","9.237","0.002","9.4592","0.0013","8.2079","0.0006","99.333","0.009","93.671","0.011","66.342","0.014","648.19","0.19","296","","296","","","","","","","","","5","P -1","-P 1","2","","α-chloroisopropyl mesityl sulfone","","- C12 H17 Cl O2 S -","- C12 H17 Cl0.998 O2 S -","- C24 H34 Cl1.996 O4 S2 -","2","1","OM6025","Meyers, Cal Y.; Hua, Duy H.; Hou, Yuqing; Robinson, Paul D.","2-Chloro-2-propyl mesityl sulfone","Acta Crystallographica Section E","2001","57","7","o587","o589","10.1107/S1600536801007528","","","0.71069","MoKα","","0.055","0.04","","","","0.121","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2200516","8.027","0.0008","8.0435","0.0008","13.8493","0.0013","82.232","0.002","82.359","0.002","62.242","0.002","781.52","0.13","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","2-fluoro-6-iodobenzonitrile","","- C7 H3 F I N -","- C7 H3 F I N -","- C28 H12 F4 I4 N4 -","4","2","OM6026","Britton, Doyle","2-Fluoro-6-iodobenzonitrile","Acta Crystallographica Section E","2001","57","8","o702","o704","10.1107/S1600536801010923","","","0.71073","MoKα","","0.0485","0.0433","","","","0.1093","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200517","9.317","0.004","10.713","0.005","12.797","0.006","104.99","0.02","93.03","0.03","103.46","0.02","1191.2","1","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cu N4 O4 S4 -","- C17 H16 Cu N4 O4 S4 -","- C34 H32 Cu2 N8 O8 S8 -","2","1","OM6029","Breneman, Gary L.; Aubol, Sheryl L.; Parker, O. Jerry","Diisothiocyanato[di(2-pyridyl)methanediol]copper(II) bis(dimethyl sulfoxide), [Cu(NCS)~2~(dpydiol)]·2DMSO","Acta Crystallographica Section E","2001","57","7","m288","m290","10.1107/S1600536801008534","","","0.71073","MoKα","","","0.0566","","","","0.152","","","","","","1.069","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200518","18.358","0.001","6.621","0.002","8.356","0.003","90","","90","","90","","1015.7","0.5","144","1","144","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 Cl O2 -","- C12 H9 Cl O2 -","- C48 H36 Cl4 O8 -","4","1","OM6031","Lehmler, Hans-Joachim; Robertson, Larry W.; Parkin, Sean","4-Chloro-3',4'-dihydroxybiphenyl","Acta Crystallographica Section E","2001","57","7","o590","o591","10.1107/S1600536801008844","","","0.71073","MoKα","","0.0464","0.0356","","","","0.0746","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200519","6.7683","0.0005","7.4976","0.0007","14.4864","0.0002","87.92","0.01","90.77","0.01","114.18","0.01","670.19","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O7 -","- C12 H11 N3 O7 -","- C24 H22 N6 O14 -","2","1","OM6032","Moreno-Fuquen, Rodolfo; Cano, Felix; Martinez-Ripoll, Martin; Montaño, Angela; Zukerman-Schpector, Julio","1:1 Complex of 2,4-dinitrophenol and 4-methoxypyridine <i>N</i>-oxide hydrate","Acta Crystallographica Section E","2001","57","8","o712","o714","10.1107/S1600536801010790","","","1.5418","CuKα","","0.0483","0.0445","","","","0.132","","","","","","1.138","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200520","21.148","0.0017","8.5399","0.0011","9.4229","0.001","90","","100.524","0.007","90","","1673.2","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,5,7,8-Tetrahydro-2-(2-Propenyl)-6H-[1,3,6,2]-dioxazaborocine","","- C7 H14 B N O2 -","- C7 H14 B N O2 -","- C56 H112 B8 N8 O16 -","8","1","OM6035","Thadani, Avinash N.; Batey, Robert A.; Lough, Alan J.","4,5,7,8-Tetrahydro-2-(2-propenyl)-6<i>H</i>-[1,3,6,2]dioxazaborocine","Acta Crystallographica Section E","2001","57","8","o762","o763","10.1107/S1600536801011679","","","0.71073","MoKα","","0.1201","0.063","","","","0.176","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200521","23.63","0.005","5.582","0.002","18.004","0.006","90","","95.04","0.02","90","","2365.6","1.3","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","OM6036","Kashino, Setsuo; Tanaka, Mitsuru; Todorov, Todor Dimitrov","2,2'-Dihydroxychalcone","Acta Crystallographica Section E","2001","57","8","o735","o737","10.1107/S1600536801011898","","","0.71073","MoKα","","0.052","0.048","","","","0.129","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200522","8.6623","0.0008","18.1338","0.0013","9.8554","0.0009","90","","105.68","0.08","90","","1490.5","0.6","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5,17-di-tert-butyl-25,27-dihydroxy-calix[4]arene","","","- C38 H44 O2 -","- C38 H44 O2 -","- C76 H88 O4 -","2","0.5","OM6037","Jeffrey C. Bryan; Richard A. Sachleben; Agathe Urvoas","5,17-Di-<i>tert</i>-butyl-25,27-dihydroxycalix[4]arene","Acta Crystallographica Section E","2001","57","8","o781","o782","10.1107/S160053680101220X","","","0.71073","MoKα","","0.056","0.039","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200523","27.726","0.003","12.412","0.002","16.087","0.003","90","","110.46","0.02","90","","5186.9","1.6","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Me~2~Ph~2~C~2~(ν^5^-C~5~H~4~)~2~Ca(DME)","","","- C30 H34 Ca O2 -","- C30 H34 Ca O2 -","- C240 H272 Ca8 O16 -","8","1","OM6038","Twamley, Brendan; Matare, Gilbert J.; Shapiro, Pamela J.; Vij, Ashwani","ansa-Calcocenes: <i>trans</i>-Ph~2~(CH~3~)~2~C~2~(η^5^-C~5~H~4~)~2~Ca(DME)","Acta Crystallographica Section E","2001","57","9","m402","m403","10.1107/S1600536801013265","","","0.71073","MoKα","","0.067","0.062","","","","0.117","","","","","","1.29","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200524","16.5784","0.0011","7.1077","0.0005","12.1751","0.0008","90","","95.475","0.002","90","","1428.1","0.17","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-Pyridylmethyl urea dihydrate","","","- C13 H18 N4 O3 -","- C13 H18 N4 O3 -","- C52 H72 N16 O12 -","4","0.5","OM6039","Harrison, William T. A.","3-Pyridylmethyl urea dihydrate","Acta Crystallographica Section E","2001","57","8","o783","o785","10.1107/S1600536801012211","","","0.71073","MoKα","","0.037","0.03","","","","0.09","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200525","5.5873","0.0011","7.3864","0.0017","23.688","0.003","90","","90","","90","","977.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alaninium maleate","","- C7 H11 N O6 -","- C7 H11 N O6 -","- C28 H44 N4 O24 -","4","1","OM6040","Alagar, M.; Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","<small>L</small>-Alaninium maleate","Acta Crystallographica Section E","2001","57","9","o855","o857","10.1107/S1600536801013149","","","1.5418","CuKα","","0.0371","0.0354","","","","0.106","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200526","17.501","0.004","18.875","0.005","14.999","0.004","113.137","0.019","101.89","0.02","74.3","0.02","4358","2","296","","296","","","","","","","","","6","P -1","-P 1","2","","2,4,6-Tris(1'-phenylthio-1-ferrocenyl)boroxin","","- C48 H39 B3 Fe3 O3 S3 -","- C48 H39 B3 Fe3 O3 S3 -","- C192 H156 B12 Fe12 O12 S12 -","4","2","OM6042","Hua, Duy H.; McGill, James W.; Robinson, Paul D.; Meyers, Cal Y.","2,4,6-Tris(1'-phenylthio-1-ferrocenyl)boroxin","Acta Crystallographica Section E","2001","57","9","m413","m415","10.1107/S1600536801013988","","","0.71069","MoKα","","0.265","0.047","","","","0.158","","","","","","0.934","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200527","6.7249","0.0005","9.979","0.002","11.1574","0.001","90","","90","","90","","748.75","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 N4 O7 -","- C4 H4 N4 O7 -","- C16 H16 N16 O28 -","4","1","OM6043","Gilardi, Richard D.; Butcher, Ray J.","6,8-Dinitro-2,4-dioxa-6,8-diazabicyclo[3.3.0]octan-3-one","Acta Crystallographica Section E","2001","57","9","o891","o892","10.1107/S1600536801013915","","","0.71073","MoKα","","0.0413","0.0333","","","","0.0923","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200528","6.1295","0.0006","7.8227","0.0006","8.3961","0.0008","113.592","0.007","93.831","0.004","95.557","0.004","364.74","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Ethyl 2-aminooxazole-5-carboxylate","","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C12 H16 N4 O6 -","2","1","OM6045","Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D.","Ethyl 2-aminooxazole-5-carboxylate","Acta Crystallographica Section E","2001","57","9","o832","o833","10.1107/S1600536801013058","","","0.71073","MoKα","","0.0847","0.05","","","","0.1264","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200529","3.9758","0.0007","22.489","0.004","9.7419","0.0016","90","","99.255","0.003","90","","859.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-fluoro-2'-nitroacetanilide","","- C8 H7 F N2 O3 -","- C8 H7 F N2 O3 -","- C32 H28 F4 N8 O12 -","4","1","TK6018","Qi, Jianying; Zhou, Zhongyuan; Liu, Dongsheng; Chan, Albert S. C.","4'-Fluoro-2'-nitroacetanilide","Acta Crystallographica Section E","2001","57","8","o675","o676","10.1107/S1600536801010704","","","0.71073","MoKα","","0.075","0.05","","","","0.168","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200530","4.7103","0.0008","11.684","0.002","21.352","0.004","90","","90.043","0.003","90","","1175.1","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6-methylflavone","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","TK6019","Hall, Belinda J.; Hanrahan, Jane R.; Johnston, Graham A. R.; Hambley, Trevor W.; Hibbs, David E.","6-Methylflavone","Acta Crystallographica Section E","2001","57","7","o592","o593","10.1107/S1600536801008571","","","0.71073","MoKα","","0.085","0.045","","","","0.127","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200531","10.0236","0.0009","9.098","0.003","10.357","0.001","90","","90","","90","","944.5","0.3","273","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl2 Cr H15 N6 O -","- Cl Cr0.25 H12.5 N2.5 O0.25 -","- Cl4 Cr H50 N10 O -","4","0.25","TK6023","Akashi, Haruo; Mori, Masayasu; Shibahara, Takashi","Pentaamminenitrosylchromium(III) dichloride","Acta Crystallographica Section E","2001","57","9","i75","i76","10.1107/S1600536801012983","","","0.7107","MoKα","","","0.044","","","","0.117","","","","","","0.83","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200532","9.3364","0.0009","20.948","0.002","9.6251","0.0009","90","","117.425","0.002","90","","1670.9","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Tetrachloro-bis(triphenylphosphine)osmium(IV)","","- C36 H30 Cl4 Os P2 -","- C36 H30 Cl4 Os P2 -","- C72 H60 Cl8 Os2 P4 -","2","0.5","TK6024","Li, Zhengkai; Zhou, Zhongyuan","<i>trans</i>-Tetrachlorobis(triphenylphosphine)osmium(IV)","Acta Crystallographica Section E","2001","57","7","m291","m292","10.1107/S1600536801008698","","","0.71073","MoKα","","0.046","0.032","","","","0.078","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200533","10.874","0.004","13.517","0.005","12.057","0.004","90","","101.717","0.005","90","","1735.3","1.1","168","2","168","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl2 N O2 S Ti -","- C15 H17 Cl2 N O2 S Ti -","- C60 H68 Cl8 N4 O8 S4 Ti4 -","4","1","TK6025","Lensink, Cornelis; Gainsford, Graeme J.; Hosie, Camila F.","Dichloro{η^5^:η^1^-[2-(<i>p</i>-tolylsulfonamido)prop-1-yl]cyclopentadienyl}titanium","Acta Crystallographica Section E","2001","57","7","m293","m294","10.1107/S1600536801008856","","","0.71073","MoKα","","0.111","0.056","","","","0.132","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200534","13.7198","0.0001","15.3812","0.0002","13.8702","0.0002","90","","110.387","0.0005","90","","2743.64","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dichloro[N,N'-bis(2,6-diisopropylphenyl)-1,2-ethanediimine-N,N']palladium","","- C26 H36 Cl2 N2 Pd -","- C26 H36 Cl2 N2 Pd -","- C104 H144 Cl8 N8 Pd4 -","4","1","TK6026","Comerlato, Nadia M.; Crossetti, Geraldo L.; Howie, R. Alan; Tibultino, Pollyanna C.D.; Wardell, James L.","Dichloro[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)-1,2-ethanediimine-<i>N</i>,<i>N</i>']palladium","Acta Crystallographica Section E","2001","57","7","m295","m297","10.1107/S1600536801008704","","","0.71073","MoKα","","0.037","0.029","","","","0.075","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200535","5.2472","0.0001","5.2528","0.0001","58.726","0.001","90","","92.543","0.001","90","","1617.04","0.05","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","2","TK6027","Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.; Spencer, Gayland","A new <i>Cryptocarya</i> lactone","Acta Crystallographica Section E","2001","57","7","o648","o649","10.1107/S1600536801010273","","","1.54178","CuKα","","0.057","0.057","","","","0.164","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200536","14.6546","0.0005","14.7082","0.0005","20.3235","0.0007","90","","103.789","0.001","90","","4254.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Co4 O16 -","- C36 H48 Co4 O16 -","- C144 H192 Co16 O64 -","4","1","","Wang, Ruihu; Hong, Maochun; Su, Weiping; Cao, Rong","Tetra-μ~3~-methanolato-tetrakis[(2-formylphenolato-O)(methanol-O)cobalt(II)]","Acta Crystallographica, Section E","2001","57","","m325","m665","10.1107/S1600536801010479","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2200537","11.821","0.002","10.7618","0.0018","6.3146","0.0011","90","","101.86","0.014","90","","786.2","0.2","295","2","295","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid","Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","TK6030","Smith, Graham; Bott, Raymond C.; Jenkins, Ian D.; Wermuth, Urs D.","Racemic 6-<i>exo</i>-hydroxybicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylic acid","Acta Crystallographica Section E","2001","57","8","o788","o789","10.1107/S1600536801012223","","","0.71069","MoKα","","0.076","0.043","","","","0.132","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200538","14.325","0.004","8.536","0.008","11.513","0.004","90","","91.56","0.02","90","","1407.3","1.5","295","","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-acetamido-1,1,3,3-tetramethylisoindolin-2-yloxyl","","- C14 H19 N2 O2 -","- C14 H19 N2 O2 -","- C56 H76 N8 O8 -","4","1","TK6031","Graham Smith; Steven E. Bottle; Damien A. Reid; Raymond C. Bott","An isoindoline EPR label: 5-acetamido-1,1,3,3-tetramethylisoindolin-2-yloxyl","Acta Crystallographica Section E","2001","57","8","o786","o787","10.1107/S1600536801010716","","","0.71069","MoKα","","0.113","0.039","","","","0.125","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200539","11.3122","0.0007","16.2035","0.0009","14.2663","0.0008","90","","104.046","0.01","90","","2536.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","carbonyl(tropolonato)(ferrocenyldiphenylphosphine)rhodium(I)","","- C30 H24 Fe O3 P Rh -","- C30 H24 Fe O3 P Rh -","- C120 H96 Fe4 O12 P4 Rh4 -","4","1","TK6032","Steyl, Gideon; Otto, Stefanus; Roodt, Andreas","Carbonyl(ferrocenyldiphenylphosphine)(tropolonato)rhodium(I)","Acta Crystallographica Section E","2001","57","8","m352","m354","10.1107/S1600536801011448","","","0.71073","MoKα","","0.036","0.026","","","","0.062","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2200540","6.94","0.001","10.351","0.002","10.857","0.002","69.72","0.03","81.28","0.03","75.75","0.03","707.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ-Succinato-bis[aquanitrato(1,10-phenanthroline)copper(II)]","","- C28 H24 Cu2 N6 O12 -","- C28 H24 Cu2 N6 O12 -","- C28 H24 Cu2 N6 O12 -","1","0.5","TK6033","Long, La-Sheng; Wang, Peng-Ju; Chen, Xiao-Yun; Fang, Xue-Ming; Ng, Seik Weng","μ-Succinato-bis[aquanitrato(1,10-phenanthroline)copper(II)]","Acta Crystallographica Section E","2001","57","8","m328","m330","10.1107/S1600536801010571","","","0.71073","MoKα","","0.071","0.053","","","","0.124","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200541","7.212","0.003","10.139","0.003","11.337","0.005","73.67","0.03","82.67","0.03","85.04","0.03","787.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu N2 O10 -","- C14 H12 Cu N2 O10 -","- C28 H24 Cu2 N4 O20 -","2","1","WN6019","Liang, Yucang; Hong, Maochun; Cao, Rong; Shi, Qian","Bis(pyridine-2,4-dicarboxylato)copper(II) dihydrate","Acta Crystallographica Section E","2001","57","8","m380","m381","10.1107/S1600536801011333","","","0.71073","MoKα","","","0.0355","","","","0.0978","","","","","","1.04","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2200542","14.8323","0.0007","14.8323","0.0007","30.0976","0.001","90","","90","","90","","6621.4","0.5","230","2","230","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Methylzinc tert-butoxide, thf solvate","tetra-μ~3~-tert-butoxo-tetrakis(methylzinc) tetrahydrofuran solvate","","- C24 H56 O5 Zn4 -","- C24 H56 O5 Zn4 -","- C192 H448 O40 Zn32 -","8","0.25","WN6021","Bond, Andrew D.; Linton, David J.; Wheatley, Andrew E. H.","Methylzinc <i>tert</i>-butoxide tetrahydrofuran solvate","Acta Crystallographica Section E","2001","57","7","m298","m300","10.1107/S1600536801009667","","","0.71073","MoKα","","0.0587","0.0389","","","","0.1097","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200543","5.929","0.002","14.133","0.002","10.3892","0.0012","90","","95.065","0.016","90","","867.2","0.3","273","1","273","1","","","","","","","","3","P 1 21 1","P 2yb","4","","[3E]-3-deoxy-3-C-ethoxycarbonylmethylene-1,2:5,6-di-O-isopropylidene- α-D-ribohexofuranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C32 H48 O14 -","2","1","WN6022","Linden, Anthony; Lee, C. Kuan; Siew, Kum Fong","[3E]-3-Deoxy-3-<i>C</i>-ethoxycarbonylmethylene-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-ribohexofuranose","Acta Crystallographica Section E","2001","57","7","o594","o595","10.1107/S1600536801009710","","","0.71069","MoKα","","0.1424","0.0638","","","","0.2001","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200544","5.7499","0.0002","18.097","0.0011","16.0028","0.0008","90","","91.421","0.003","90","","1664.67","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-(phenylpropyl)diphenylphosphine","Diphenyl(3-phenylpropyl)phosphine","","- C21 H21 P -","- C21 H21 P -","- C84 H84 P4 -","4","1","WN6023","Bond, Andrew D.; Brown, David B.; Harper, Joanne R.; Johnson, Brian F. G.","Diphenyl(3-phenylpropyl)phosphine","Acta Crystallographica Section E","2001","57","7","o615","o616","10.1107/S1600536801009783","","","0.71073","MoKα","","0.0999","0.0515","","","","0.1531","","","","","","0.991","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200545","8.623","0.005","12.091","0.004","15.436","0.007","90","","100.59","0.04","90","","1582","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(pyridine-2,5-dicarboxylato)cobalt(II)","","- C14 H12 Co N2 O10 -","- C14 H12 Co N2 O10 -","- C56 H48 Co4 N8 O40 -","4","0.5","WN6024","Liang, Yucang; Cao, Rong; Hong, Maochun; Shi, Qian; Sun, Daofeng; Weng, Jiabao","Diaquabis(pyridine-2,5-dicarboxylato)cobalt(II)","Acta Crystallographica Section E","2001","57","8","m382","m383","10.1107/S1600536801011436","","","0.71073","MoKα","","0.0358","0.0293","","","","0.0775","","","","","","1.094","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2200546","29.332","0.003","3.8551","0.0002","11.0753","0.0011","90","","99.341","0.003","90","","1235.76","0.19","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-(2-pyridyl)-4-methylcarboxyquinoline","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","WN6025","Farah, Abdiaziz A.; Pietro, William J.","Methyl 2-(2-pyridyl)quinoline-4-carboxylate","Acta Crystallographica Section E","2001","57","8","o677","o678","10.1107/S1600536801010595","","","0.71073","MoKα","","0.0494","0.0407","","","","0.1067","","","","","","0.887","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200547","6.879","0.002","29.563","0.009","8.511","0.003","90","","99.11","0.02","90","","1709","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[(R)-3-methyl-2-butyl]-(S)-2-(6-methoxy-2-naphthyl)propionamide","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C76 H100 N4 O8 -","4","2","WN6026","Dupont, Léon; Khelili, Smail; Pirotte, Bernard; Tinant, Bernard; de Tullio, Pascal","Absolute configuration of <i>N</i>-[(<i>R</i>)-3-methyl-2-butyl]-(<i>S</i>)-2-(6-methoxy-2-naphthyl)propionamide","Acta Crystallographica Section E","2001","57","7","o650","o651","10.1107/S1600536801010285","","","0.71069","MoKα","","0.0571","0.0531","","","","0.1495","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200548","16.181","0.002","11.625","0.002","7.938","0.003","90","","90","","90","","1493.2","0.6","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C64 H64 O32 -","8","1","WN6027","Okabe, Nobuo; Kyoyama, Hasuyo","3,4-Dihydroxyphenylacetic acid","Acta Crystallographica Section E","2001","57","8","o715","o716","10.1107/S1600536801011151","","","0.7107","MoKα","","","0.0511","","","","0.2202","","","","","","0.842","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200549","9.6233","0.0002","10.7356","0.0002","17.2999","0.0003","90","","91.624","0.001","90","","1786.57","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(N-methyl-N-phenylthiocarbamoyl) disulfide","","- C16 H16 N2 S4 -","- C16 H16 N2 S4 -","- C64 H64 N8 S16 -","4","1","WN6028","Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Fengli Bei; Fangfang Jian; Xujie Yang; Lude Lu; Xin Wang","Bis(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoyl) disulfide","Acta Crystallographica Section E","2001","57","8","o717","o718","10.1107/S1600536801011412","","","0.71073","MoKα","","0.1166","0.0708","","","","0.2157","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200550","9.0136","0.0018","12.96","0.006","6.3936","0.0013","90","","100.77","0.03","90","","733.7","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-diamino-3,5-dinitro-1,4-pyrazine","2,6-diamino-3,5-dinitro-1,4-pyrazine","","- C4 H4 N6 O4 -","- C4 H4 N6 O4 -","- C16 H16 N24 O16 -","4","1","WN6029","Gilardi, Richard D.; Butcher, Ray J.","2,6-Diamino-3,5-dinitropyrazine","Acta Crystallographica Section E","2001","57","8","o738","o740","10.1107/S1600536801011734","","","0.71073","MoKα","","0.0957","0.0642","","","","0.1868","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200551","5.7817","0.0005","8.1353","0.0008","12.027","0.0011","99.253","0.002","94.113","0.002","92.482","0.002","556.04","0.09","93","2","93","2","","","","","","","","5","P -1","-P 1","2","2,6-diamino-3,5-dinitro-1,4-pyrazine dimethyl sulfoxide solvate","2,6-diamino-3,5-dinitro-1,4-pyrazine dimethyl sulfoxide solvate","","- C6 H10 N6 O5 S -","- C6 H10 N6 O5 S -","- C12 H20 N12 O10 S2 -","2","1","WN6030","Gilardi, Richard D.; Butcher, Ray J.","2,6-Diamino-3,5-dinitro-1,4-pyrazine dimethyl sulfoxide solvate","Acta Crystallographica Section E","2001","57","8","o757","o759","10.1107/S1600536801011722","","","0.71073","MoKα","","0.0376","0.035","","","","0.0909","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200552","8.0762","0.0011","9.9366","0.0013","14.1558","0.0019","90","","90","","90","","1136","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(2,2'-bipyridine)copper(II)-μ~4~-oxalato]","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C48 H32 Cu4 N8 O16 -","4","1","WN6031","Luo, Junhua; Hong, Maochun; Liang, Yucang; Cao, Rong","Poly[(2,2'-bipyridine)copper(II)-μ~4~-oxalato]","Acta Crystallographica Section E","2001","57","8","m361","m362","10.1107/S1600536801011874","","","0.71073","MoKα","","0.0932","0.0511","","","","0.1085","","","","","","1.05","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2200553","9.2024","0.0011","7.5897","0.0009","9.7251","0.0011","90","","101.79","0.002","90","","664.9","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-Bis(dicyanamido-N)-trans-bis(imidazole-N')copper(II) [Cu({N(CN)~2~}~2~(C~3~H~4~N~2~)~2~]","","- C10 H8 Cu N10 -","- C10 H8 Cu N10 -","- C20 H16 Cu2 N20 -","2","0.5","WN6032","Luo, Junhua; Hong, Maochun; Liang, Yucang; Cao, Rong","<i>trans</i>-Bis(dicyanamido-<i>N</i>)-<i>trans</i>-bis(imidazole-<i>N</i>')copper(II)","Acta Crystallographica Section E","2001","57","8","m359","m360","10.1107/S1600536801011710","","","0.71073","MoKα","","0.0882","0.0528","","","","0.1332","","","","","","1.023","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2200554","4.8558","0.001","8.1621","0.0016","15.919","0.003","90","","92.16","0.03","90","","630.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(3-Pyridyl)urea","N-(3-Pyridyl)urea","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","WN6033","Sumod George; Ashwini Nangia","<i>N</i>-(3-Pyridyl)urea","Acta Crystallographica Section E","2001","57","8","o719","o720","10.1107/S1600536801011424","","","0.71073","MoKα","","0.0638","0.0449","","","","0.1336","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200555","8.577","0.002","10.997","0.003","12.327","0.003","92.56","0.02","93.38","0.02","106.67","0.02","1109.6","0.5","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H28 -","- C30 H28 -","- C60 H56 -","2","1","WN6034","Spagna, Riccardo; Cascarano, Giovanni Luca; Ciminale, Francesco; Farinola, Gianluca M.; Lopez, Luigi","1,3-Diphenyl-1-<i>o</i>-tolyl-3,4-dimethylindan","Acta Crystallographica Section E","2001","57","8","o741","o743","10.1107/S1600536801011825","","","1.54178","CuKα","","0.045","0.045","","0.057","","0.057","","","0.944","","","0.944","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200556","11.5563","0.0001","9.9957","0.0002","42.9208","0.001","90","","91.3492","0.0015","90","","4956.55","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","asco6d","desoxazoline-ascidiacyclamide dimer (DMF & H2O solvated) cyclo(-Ile-Thr-D-Val-Thz-Ile-D-alloIle-D-Val-Thz-)2 [Thz = thiazole, Thr = (2S,3R), D-alloThr = (2R,3R)]","","- C81 H135 N19 O20 S4 -","- C81 H135 N19 O20 S4 -","- C162 H270 N38 O40 S8 -","2","1","WN6037","Asano, Akiko; Taniguchi, Taizo; Sasaki, Masahiro; Hasegawa, Hiroshi; Katsuya, Yoshio; Doi, Mitsunobu","A β-sheet structure formed by C‒H···O hydrogen bonds between the thiazole rings and amide bonds of a dimeric desoxazoline ascidiacyclamide analogue","Acta Crystallographica Section E","2001","57","9","o834","o838","10.1107/S160053680101279X","","","0.836","synchrotron","","0.0973","0.0967","","","","0.2592","","","","","","1.248","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200557","22.7045","0.0006","11.1044","0.0003","14.2366","0.0002","90","","90","","90","","3589.33","0.14","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","NTA‒1,10-phenanthroline‒water (1/1/1)","Nitrilotriacetic acid‒1,10-phenanthroline‒water (1/1/1)","","- C18 H19 N3 O7 -","- C18 H19 N3 O7 -","- C144 H152 N24 O56 -","8","1","WN6038","Shan, Ning; Bond, Andrew D.; Jones, William","NTA‒1,10-phenanthroline‒water (1/1/1)","Acta Crystallographica Section E","2001","57","8","o811","o813","10.1107/S1600536801012612","","","0.71073","MoKα","","0.0517","0.0398","","","","0.1019","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200558","8.0299","0.0016","12.765","0.003","10.587","0.002","90","","92.11","0.03","90","","1084.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C32 H64 N8 O16 -","4","1","WN6039","Gelbrich, Thomas; Kilburn, Jeremy D.; Hursthouse, Michael B.","Diisopropyl hydrazocarboxylate","Acta Crystallographica Section E","2001","57","8","o796","o797","10.1107/S1600536801012648","","","0.71073","MoKα","","0.1033","0.0691","","","","0.1433","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200559","7.3718","0.0003","18.5164","0.0007","8.9123","0.0001","90","","111.913","0.001","90","","1128.63","0.06","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-Phenylazoaniline Hydrochloride","","- C12 H12 Cl N3 -","- C12 H12 Cl N3 -","- C48 H48 Cl4 N12 -","4","1","WN6041","Mahmoudkhani, Amir H.; Langer, Vratislav","Zigzag hydrogen-bonded sheets in the structure of <i>p</i>-phenylazoaniline hydrochloride","Acta Crystallographica Section E","2001","57","9","o839","o841","10.1107/S1600536801012971","","","0.71073","MoKα","","0.0681","0.0515","","","","0.1503","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200560","7.1245","0.0003","17.183","0.0007","17.3367","0.0007","90","","94.64","0.001","90","","2115.41","0.15","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,4,4-tetra(isopropyl)piperazinium tetrachlorocobaltate(II)","","- C16 H36 Cl4 Co N2 -","- C16 H36 Cl4 Co N2 -","- C64 H144 Cl16 Co4 N8 -","4","1","WN6042","Mahmoudkhani, Amir H.; Langer, Vratislav; Casari, Barbara M.","Two-dimensional network of C‒H···Cl‒Co hydrogen bonds in the structure of 1,1,4,4-tetraisopropylpiperazinium tetrachlorocobaltate(II)","Acta Crystallographica Section E","2001","57","9","m393","m395","10.1107/S1600536801012843","","","0.71073","MoKα","","0.0835","0.0482","","","","0.1294","","","","","","0.987","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200561","9.577","0.003","16.039","0.003","16.127","0.002","90","","90","","90","","2477.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-methyl-2-methyl-3-furanthiocarboxanilyd","","- C13 H13 N O S -","- C13 H13 N O S -","- C104 H104 N8 O8 S8 -","8","1","WN6043","Popović, Jasminka; Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna","<i>N</i>,2-Dimethyl-3-furanthiocarboxanilide","Acta Crystallographica Section E","2001","57","9","o893","o894","10.1107/S1600536801013472","","","0.71073","MoKα","","0.1336","0.0531","","","","0.1667","","","","","","0.965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200562","7.075","0.003","8.783","0.005","12.469","0.005","105.85","0.04","93.44","0.03","106.89","0.03","705","0.6","293","2","","","","","","","","","","4","P -1","-P 1","2","","4-(4-ethoxyphenylamino)-2-oxo-1,2-dihydroquinoline","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","YA6028","Rybakov, Victor B.; Chernyshev, Vladimir V.; Ukrainets, Igor V.; Bezugly, Peter A.; Sidorenko, Lyudmila V.; Skaif, Nicola","4-(4-Ethoxyphenylamino)-2-oxo-1,2-dihydroquinoline","Acta Crystallographica Section E","2001","57","8","o721","o722","10.1107/S160053680101100X","","","0.71073","MoKα","","","0.046","","","","0.104","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200563","4.026","0.005","14.682","0.009","20.728","0.012","90","","90.27","0.02","90","","1225.2","1.8","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N^s^,N^o^‒diphenyl(thiooxamide)","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","YA6029","Rybakov, Victor B.; Babaev, Eugene V.; Dlinnykh, Ylya V.","<i>N</i>^<i>S^</i>,<i>N</i>^<i>O^</i>-Diphenyl(thiooxamide)","Acta Crystallographica Section E","2001","57","8","o814","o815","10.1107/S1600536801012752","","","0.71073","MoKα","","","0.047","","","","0.117","","","","","","0.95","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200564","16.292","0.001","18.404","0.001","25.317","0.002","90","","90","","90","","7591","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","dichloro{1,2-bis(diphenylphosphino)ethane-P,P'} palladium(II) tris(deuterochloroform) solvate","","- C29 H24 Cl11 D3 P2 Pd -","- C29 H24 Cl11 D3 P2 Pd -","- C232 H192 Cl88 D24 P16 Pd8 -","8","2","YA6030","Batsanov, Andrei S.; Howard, Judith A. K.; Robertson, Graham S.; Kilner, Melvyn","[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']dichloropalladium(II) tris(deuterochloroform) solvate","Acta Crystallographica Section E","2001","57","7","m301","m304","10.1107/S1600536801008728","","","0.71073","MoKα","","0.105","0.063","","","","0.099","","","","","","1.78","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200565","10.415","0.002","9.466","0.002","14.357","0.006","90","","105.88","0.02","90","","1361.4","0.7","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl Cu N2 O4 -","- C13 H11 Cl Cu N2 O4 -","- C52 H44 Cl4 Cu4 N8 O16 -","4","1","YA6031","Bhar, Mallika; Chaudhury, Muktimoy; Tiekink, Edward R. T.","Copper(II)-induced methanolysis of a stable enediol: isolation and crystallographic characterization of chloro(methylpicolinato-<i>N</i>,<i>O</i>)(picolinato-<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section E","2001","57","7","m305","m307","10.1107/S160053680100873X","","","0.71069","MoKα","","0.049","0.028","","","","0.081","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200566","22.97","0.006","20.005","0.004","8.048","0.002","90","","90","","90","","3698.2","1.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Dichloro-bis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate","","- C38 H34 Cl6 Ni P2 -","- C38 H34 Cl6 Ni P2 -","- C152 H136 Cl24 Ni4 P8 -","4","0.5","YA6032","Batsanov, Andrei S.; Howard, Judith A. K.","<i>trans</i>-Dichlorobis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate: redetermination at 120K","Acta Crystallographica Section E","2001","57","7","m308","m309","10.1107/S1600536801008741","","","0.71073","MoKα","","0.04","0.029","","","","0.074","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200567","7.058","0.004","16.212","0.008","17.029","0.009","90","","90","","90","","1948.5","1.8","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-1-{(2-Oxo-1,2-dihydroquinolin-6-yl)[3-(trifluoromethyl)phenyl]methyl}- 1H-1,2,4-triazol-4-ium bromide","","- C19 H14 Br F3 N4 O -","- C19 H14 Br F3 N4 O -","- C76 H56 Br4 F12 N16 O4 -","4","1","YA6033","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","(<i>R</i>)-1-{(2-Oxo-1,2-dihydroquinolin-6-yl)[3-(trifluoromethyl)phenyl]methyl}-1<i>H</i>-1,2,4-triazol-4-ium bromide","Acta Crystallographica Section E","2001","57","7","o655","o656","10.1107/S1600536801010315","","","0.71073","MoKα","","0.068","0.034","","0.064","","0.064","","","1.04","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200568","9.4442","0.0009","13.725","0.001","15.703","0.001","90","","90","","90","","2035.4","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-{4-[(1S,2S)-2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}- 2-benzothiazolamine","","- C21 H23 N5 S -","- C21 H23 N5 S -","- C84 H92 N20 S4 -","4","1","YA6034","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","(+)-<i>N</i>-{4-[(1<i>S</i>,2<i>S</i>)-2-(Dimethylamino)-1-(1<i>H</i>-imidazol-1-yl)propyl]phenyl}-2-benzothiazolamine","Acta Crystallographica Section E","2001","57","8","o723","o724","10.1107/S1600536801011230","","","1.54184","CuKα","","0.058","0.049","","0.145","","0.145","","","1.07","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200569","7.2397","0.0013","36.724","0.008","7.304","0.002","90","","115.69","0.02","90","","1750","0.7","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","Ludongnin","octahydro-5'-hydroxy-7a-methyl-8'- methylene-spiro[ isobenzofuran-4( 1H ), 4' ( 3'H )-[ 1H-7, 9a ] methanocyclohepta[c]pyran ]-1', 3, 9'( 3aH, 4'aH )-trione","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","2","YA6035","Shi, Hao; Pan, Yuan Jiang; Jin, Zhi Min","Natural diterpenoid ludongnin, octahydro-5'-hydroxy-7a-methyl-8'-methylenespiro[isobenzofuran-4(1<i>H</i>),4'(3'<i>H</i>)-[1<i>H</i>-7,9a]methanocyclohepta[<i>c</i>]pyran]-1',3,9'(3a<i>H</i>,4'a<i>H</i>)-trione","Acta Crystallographica Section E","2001","57","8","o685","o687","10.1107/S1600536801010078","","","0.71073","MoKα","","0.058","0.038","","","","0.081","","","","","","0.91","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200570","15.616","0.002","6.702","0.002","7.208","0.006","90","","91.87","0.03","90","","754","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[bis(1-(2-azidoethyl)tetrazole-N^4^)-copper(II)]-di-μ-chloro]","","- C6 H10 Cl2 Cu N14 -","- C6 H10 Cl2 Cu N14 -","- C12 H20 Cl4 Cu2 N28 -","2","0.5","YA6036","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Gaponik, Pavel N.; Bogatikov, Andrey N.; Govorova, Alla A.","Layered structure of <i>catena</i>-poly[[bis[1-(2-azidoethyl)tetrazole-<i>N</i>^4^]copper(II)]-di-μ-chloro]","Acta Crystallographica Section E","2001","57","8","m335","m337","10.1107/S1600536801009965","","","0.71073","MoKα","","0.039","0.033","","","","0.097","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200571","10.096","0.001","26.316","0.002","16.927","0.002","90","","90.07","0.002","90","","4497.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","7-chloro-2-methyl-3-methylamino-2H-1,2,4-benzothiadiazine 1,1-dioxide","","- C9 H10 Cl N3 O2 S -","- C9 H10 Cl N3 O2 S -","- C144 H160 Cl16 N48 O32 S16 -","16","4","YA6037","Dupont, Léon; Somers, Fabian; Boverie, Stéphane; Pirotte, Bernard; Tinant, Bernard; de Tullio, Pascal","7-Chloro-2-methyl-3-methylamino-2<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section E","2001","57","7","o652","o654","10.1107/S1600536801010248","","","0.71069","MoKα","","0.044","0.036","","","","0.106","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200572","6.4875","0.0001","7.0151","0.0001","14.2991","0.0001","92.044","0.001","100.045","0.001","112.955","0.001","586.169","0.014","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","Bis(p-phenylazoanilinium) oxalate","","- C26 H24 N6 O4 -","- C26 H24 N6 O4 -","- C26 H24 N6 O4 -","1","0.5","YA6039","Mahmoudkhani, Amir H.; Langer, Vratislav","Two-dimensional hydrogen-bonded arrays in <i>p</i>-phenylazoanilinium oxalate","Acta Crystallographica Section E","2001","57","9","o898","o900","10.1107/S1600536801013885","","","0.71073","MoKα","","0.052","0.041","","","","0.129","","","","","","1.04","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200573","12.722","0.002","12.037","0.003","28.551","0.004","90","","98.05","0.01","90","","4329.1","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trans-diodo-pentakis(tetrahydrofuran)ytterbium(III)-tetraiodo- trans-bis(tetrahydrofuran)ytterbium(III)","","- C28 H56 I6 O7 Yb2 -","- C28 H56 I6 O7 Yb2 -","- C112 H224 I24 O28 Yb8 -","4","0.5","YA6041","Niemeyer, Mark","<i>trans</i>-Diiodopentakis(tetrahydrofuran)ytterbium(III) tetraiodo-<i>trans</i>-bis(tetrahydrofuran)ytterbium(III)","Acta Crystallographica Section E","2001","57","8","m363","m364","10.1107/S1600536801011254","","","0.71073","MoKα","","0.07","0.047","","","","0.126","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200574","15.208","0.005","8.131","0.005","12.302","0.005","90","","111.554","0.005","90","","1414.8","1.1","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentafluorophenyl 3-chloro-3-phenylpropanoate","","- C15 H8 Cl F5 O2 -","- C15 H8 Cl F5 O2 -","- C60 H32 Cl4 F20 O8 -","4","1","YA6042","Chan, Bun; Tan, Eng W.; Blackman, Allan G.","Pentafluorophenyl 3-chloro-3-phenylpropanoate","Acta Crystallographica Section E","2001","57","8","o725","o726","10.1107/S1600536801011242","","","0.71069","MoKα","","0.043","0.033","","","","0.092","","","","","","1.06","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2200575","15.5033","0.0003","7.5309","0.0002","15.9609","0.0004","90","","110.774","0.001","90","","1742.34","0.07","291","1","291","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","1","YA6043","Kolev, Tsonko; Glavcheva, Zornitza; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","2-{3-[2-(1<i>H</i>-Indol-3-yl)vinyl]-5,5-dimethylcyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","8","o760","o761","10.1107/S1600536801011291","","","0.71073","MoKα","","0.162","0.052","","","","0.13","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200576","41.471","0.004","9.3431","0.0009","24.989","0.003","90","","102.077","0.002","90","","9468.1","1.7","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,2,6,6-Tetramethyl-3,5-di(2,6-diisopropylphenylimino)heptane","","- C35 H54 N2 -","- C35 H54 N2 -","- C420 H648 N24 -","12","1.5","YA6044","Bailey, Philip J.; Liddle, Stephen T.; Parsons, Simon","2,2,6,6-Tetramethyl-3,5-bis(2,6-diisopropylphenylimino)heptane at 150K","Acta Crystallographica Section E","2001","57","9","o863","o865","10.1107/S1600536801011783","","","0.71073","MoKα","","0.079","0.05","","","","0.124","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200577","13.078","0.006","17.899","0.007","22.79","0.09","90","","105.009","0.002","90","","5153","2","110","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 Cl7 N8 O5 Zn -","- C54 H41 Cl7 N8 O5 Zn -","- C216 H164 Cl28 N32 O20 Zn4 -","4","1","YA6045","Ricard, David; Richard, Philippe; Boitrel, Bernard","(Methanol){α-5,10,15:β-20-tetrakis[2-(chloroacetamido)phenyl]porphyrin}zinc(II) chloroform solvate","Acta Crystallographica Section E","2001","57","9","m404","m406","10.1107/S1600536801012788","","","0.71073","MoKα","","","0.069","","","","0.187","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200578","13.061","0.002","13.898","0.002","4.891","0.0017","93.33","0.02","93.21","0.02","101.764","0.014","865.6","0.4","295","2","297","2","","","","","","","","4","P -1","-P 1","2","(8-quinolinyl)urea 3,5-dinitrosalicylate (1:1)","","","- C17 H13 N5 O8 -","- C17 H13 N5 O8 -","- C34 H26 N10 O16 -","2","1","YA6046","Smith, Graham; Bott, Raymond C.; Wermuth, Urs D.","The 1:1 proton-transfer complex of 3,5-dinitrosalicylic acid with (8-quinolinyl)urea","Acta Crystallographica Section E","2001","57","9","o895","o897","10.1107/S1600536801013666","","","0.71069","MoKα","","0.061","0.045","","","","0.125","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200579","13.666","0.003","16.277","0.003","18.575","0.004","90","","98.99","0.03","90","","4081.1","1.5","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(2,4,6,2'',4'',6''-hexaisopropyl-1,1':3',1''-terphenyl-2'-thiolato-S)- tetrakis(tetrahydrofuran-O)ytterbium(II)","","- C88 H130 O4 S2 Yb -","- C88 H130 O4 S2 Yb -","- C176 H260 O8 S4 Yb2 -","2","0.5","YA6051","Niemeyer, Mark","A sterically crowded ytterbium(II) thiolate: <i>trans</i>-bis(2,4,6,2'',4'',6''-hexaisopropyl-1,1':3',1''-terphenyl-2'-thiolato-<i>S</i>)tetrakis(tetrahydrofuran-<i>O</i>)ytterbium(II)","Acta Crystallographica Section E","2001","57","9","m396","m398","10.1107/S160053680101306X","","","0.71073","MoKα","","0.094","0.052","","","","0.128","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200580","12.3307","0.0014","12.6105","0.001","16.3613","0.0012","89.734","0.006","80.137","0.007","72.592","0.009","2388.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","trans-(μ^2^-tert-butoxy)bis(μ^2^-2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''- terphenyl-2',2'-diyl)(μ^2^-iodo)tetracopper(I)","","- C52 H59 Cu4 I O -","- C52 H59 Cu4 I O -","- C104 H118 Cu8 I2 O2 -","2","1","YA6052","Niemeyer, Mark","A tetranuclear copper compound containing three different types of anions: <i>trans</i>-(μ-<i>tert</i>-butoxy)bis(μ-2,4,6,2'',4'',6''-hexamethyl-1,1':3',1''-terphenyl-2',2'-diyl)(μ-iodo)tetracopper(I)","Acta Crystallographica Section E","2001","57","9","m416","m418","10.1107/S1600536801013551","","","0.71073","MoKα","","0.078","0.035","","","","0.059","","","","","","0.72","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200581","6.0584","0.0006","6.0584","0.0006","11.3561","0.0007","90","","90","","120","","360.97","0.06","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Yb -","- Mn O3 Yb -","- Mn6 O18 Yb6 -","6","0.5","","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M.","Hexagonal YbMnO~3~ revisited","Acta Crystallographica, Section E","2001","57","","i87","i89","10.1107/S1600536801015094","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2200582","6.038","0.001","6.038","0.001","11.361","0.001","90","","90","","120","","358.7","0.09","293","","295","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal LuMnO~3~ revisited","Acta Crystallographica, Section E","2001","57","","i101","i103","10.1107/S1600536801015896","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2200583","9.3532","0.0019","9.3532","0.0019","9.3532","0.0019","90","","90","","90","","818.2","0.3","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Ru3 Sn7 -","- Ru3 Sn7 -","- Ru12 Sn28 -","4","0.0416667","BR6028","Eriksson, Lars; Lanner, Johanna","Ru~3~Sn~7~, a re-investigation","Acta Crystallographica Section E","2001","57","10","i85","i86","10.1107/S1600536801014246","","","0.71073","MoKα","","0.0328","0.0302","","","","0.0451","","","","","","2.51","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200584","10.659","0.002","14.55","0.001","16.992","0.003","90","","97.91","0.02","90","","2610.2","0.7","301","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Br2 Cu N3 O2 Zn -","- C24 H31 Br2 Cu N3 O2 Zn -","- C96 H124 Br8 Cu4 N12 O8 Zn4 -","4","1","BR6030","Svoboda, Ingrid; Arıcı, Cengiz; Nazır, Hasan; Durmus, Zehra; Atakol, Orhan; Fuess, Hartmut","{[μ-<i>N,N</i>'-Bis(salicylidene)-2,2'-dimethyl-1,3-propanediamine](piperidine)copper(II)}dibromozinc(II)","Acta Crystallographica Section E","2001","57","12","m584","m586","10.1107/S1600536801019171","","","0.71073","MoKα","","","0.038","","","","0.095","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200585","22.461","0.004","11.295","0.002","11.394","0.002","90","","94.557","0.009","90","","2881.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co H20 K3 Mo6 O31 -","- Co K3 Mo6 O31 -","- Co4 K12 Mo24 O124 -","4","1","BR6031","Lee, Uk; Joo, Hea-Chung; Kwon, Jae-Sam; Cho, Mi-Ae","Tripotassium hexahydrogen hexamolybdocobaltate(III) heptahydrate, K~3~[H~6~CoMo~6~O~24~]·7H~2~O","Acta Crystallographica Section E","2001","57","12","i112","i114","10.1107/S1600536801019365","","","0.71069","MoKα","","0.0416","0.0313","","","","0.0816","","","","","","1.11","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200586","6.083","0.001","6.226","0.001","10.867","0.002","77.14","0.03","82.2","0.03","72.91","0.03","382.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu H10 O9 Se -","- Cu H10 O9 Se -","- Cu2 H20 O18 Se2 -","2","1","","Kolitsch, Uwe","Copper(II) selenate pentahydrate, CuSeO~4~.5H~2~O","Acta Crystallographica, Section E","2001","57","","i104","i105","10.1107/S1600536801018347","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2200587","6.8666","0.0004","9.6596","0.0003","10.5866","0.0005","90","","105.827","0.002","90","","675.57","0.06","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Tb2 -","- Mo4 O15 Tb2 -","- Mo8 O30 Tb4 -","2","0.5","BR6034","Haruo Naruke; Toshihiro Yamase","Tb~2~Mo~4~O~15~","Acta Crystallographica Section E","2001","57","12","i106","i108","10.1107/S1600536801018517","","","0.7107","MoKα","","","0.0226","","","","0.0604","","","","","","0.9","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200588","9.483","0.002","13.03","0.003","5.339","0.001","90","","90","","90","","659.7","0.2","293","2","293","2","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","flinkite","","Flinkite","- As H4 Mn3 O8 -","- As H4 Mn3 O8 -","- As4 H16 Mn12 O32 -","4","0.5","","Kolitsch, Uwe","Redetermination of the mixed-valence manganese arsenate flinkite, Mn^II^~2~Mn^III^(OH)~4~(AsO~4~)","Acta Crystallographica, Section E","2001","57","","i115","i118","10.1107/S1600536801020050","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200589","7.646","0.002","6.179","0.001","9.507","0.002","90","","90","","90","","449.15","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","pyrobelonite","","","- H Mn O5 Pb V -","- H Mn O5 Pb V -","- H4 Mn4 O20 Pb4 V4 -","4","0.5","","Kolitsch, Uwe","Refinement of pyrobelonite, PbMn^II^VO~4~(OH), a member of the descloizite group","Acta Crystallographica, Section E","2001","57","","i119","i121","10.1107/S1600536801020037","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2200590","10.0298","0.0015","6.3718","0.0015","11.2238","0.0014","90","","100.685","0.011","90","","704.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,6-diisopropylbenzene phosphoric acid","2,6-Diisopropylbenzene dihydrogen phosphate","","- C12 H19 O4 P -","- C12 H19 O4 P -","- C24 H38 O8 P2 -","2","1","BT6070","Onoda, Akira; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","One-dimensional P‒OH···O<b>=</b>P hydrogen bonds restricted by the bulky molecule 2,6-diisopropylphenyl dihydrogen phosphate","Acta Crystallographica Section E","2001","57","11","o1022","o1024","10.1107/S160053680101635X","","","0.71069","MoKα","","0.0667","0.0347","","","","0.1057","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200591","7.208","0.001","8.0106","0.0012","12.256","0.002","79.099","0.007","74.695","0.004","69.379","0.006","635.2","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-cyano-2'-nitrodiazoaminobenzene","2-cyano-2'-nitrodiazoaminobenzene","","- C13 H9 N5 O2 -","- C13 H9 N5 O2 -","- C26 H18 N10 O4 -","2","1","BT6074","O'Brien, John G.; Grousnick, Katherine E.; Baughman, Russell G.","2-Cyano-2'-nitrodiazoaminobenzene","Acta Crystallographica Section E","2001","57","10","o919","o921","10.1107/S160053680101443X","","","0.71073","MoKα","","0.11","0.0581","","0.1963","","0.1594","","","1.055","","","1.182","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200592","11.8175","0.0006","13.7466","0.0007","7.1093","0.0004","90","","120.769","0.001","90","","992.34","0.09","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H3 K2 O4.5 -","- C H3 K2 O4.5 -","- C8 H24 K16 O36 -","8","1","","Janet M. S. Skakle; Mhairi Wilson; Jörg Feldmann","Dipotassium carbonate sesquihydrate: rerefinement against new intensity data","Acta Crystallographica, Section E","2001","57","","i94","i97","10.1107/S1600536801016312","","","","","","","","","","","","","","","","","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2200593","5.5955","0.0011","10.684","0.002","12.224","0.002","90","","98.687","0.004","90","","722.4","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(1-Phenylethyl)quinoline-2-carboxamide","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","BT6079","Yang, Qi-Yun; Zhou, Zhong-Yuan; Qi, Jian-Ying","(<i>R</i>)-<i>N</i>-(1-Phenylethyl)quinoline-2-carboxamide","Acta Crystallographica Section E","2001","57","10","o971","o972","10.1107/S1600536801014325","","","0.71073","MoKα","","0.0547","0.038","","","","0.0898","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200594","5.4186","0.0011","22.951","0.005","7.4518","0.0015","90","0.017","99.73","0.016","90","0.018","913.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 N O6 -","- C7 H11 N O6 -","- C28 H44 N4 O24 -","4","1","BT6081","Rajagopal, K.; Krishnakumar, R. V.; Natarajan, S.","β-Alaninium maleate","Acta Crystallographica Section E","2001","57","10","o922","o924","10.1107/S1600536801014672","","","0.71073","MoKα","","0.0555","0.0384","","","","0.1895","","","","","","1.164","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200595","9.9482","0.001","11.2184","0.001","12.8536","0.001","97.702","0.007","105.515","0.007","94.503","0.007","1359.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 Cl2 N5 O6 P3 -","- C25 H18 Cl2 N5 O6 P3 -","- C50 H36 Cl4 N10 O12 P6 -","2","1","BT6084","Hökelek, Tuncer; Dal, Hakan; Kılıç, Zeynel","<i>cis</i>-ansa-2,4-Dichloro-2,4-[2,2'-methylenebis(4-nitrophenoxy)]-6,6-diphenylcyclo-2λ^5^,4λ^5^,6λ^5^-triphosphazatriene","Acta Crystallographica Section E","2001","57","11","o1063","o1066","10.1107/S1600536801017056","","","0.71073","MoKα","","0.0919","0.0666","","","","0.2579","","","","","","1.215","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200596","18.3417","0.0018","18.3164","0.0018","23.547","0.002","90","","90","","90","","7910.7","1.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Bis(diphenylphosphino)methane-2κ^2^P,P']-μ-carbonyl-1:2κC-carbonyl-1κC- [1(η^5^)-cyclopentadienyl](μ-phenylvinylidene-1:2κ^2^C)manganeseplatinum- (Mn—Pt) diethyl ether solvate","","- C44 H43 Mn O3 P2 Pt -","- C44 H43 Mn O3 P2 Pt -","- C352 H344 Mn8 O24 P16 Pt8 -","8","1","BT6085","Dolgushin, Fedor M.; Deykhina, Nina A.; Pogrebnyakov, Dmitry A.; Antonova, Alla B.","The binuclear μ-phenylvinylidene complex (η^5^-C~5~H~5~)(CO)(μ-CO)MnPt(μ-C=CHPh)(η^2^-Ph~2~PCH~2~PPh~2~)·Et~2~O","Acta Crystallographica Section E","2001","57","11","m541","m542","10.1107/S1600536801017500","","","0.71073","MoKα","","0.092","0.054","","","","0.129","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200597","10.7602","0.0002","9.1559","0.0002","18.2953","0.0003","90","","99.2514","0.0012","90","","1779","0.06","291","1","291","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 Cl2 O S Sn2 -","- C9 H24 Cl2 O S Sn2 -","- C36 H96 Cl8 O4 S4 Sn8 -","4","1","BT6086","Mandolesi, Sandra; Studentkowski, Marc; Preut, Hans; Mitchell, Terence","A 1:1 adduct between 2,2-bis(chlorodimethylstannyl)propane and dimethyl sulfoxide","Acta Crystallographica Section E","2001","57","11","m543","m544","10.1107/S1600536801017603","","","0.71069","MoKα","","0.0687","0.0258","","","","0.0498","","","","","","0.856","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200598","9.3516","0.0009","9.7925","0.001","5.7651","0.0003","90","","90","","90","","527.94","0.08","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","3-picoline","3-methylpyridine","","- C6 H7 N -","- C6 H7 N -","- C24 H28 N4 -","4","1","BT6087","Bond, Andrew D.; Davies, John E.","3-Picoline","Acta Crystallographica Section E","2001","57","11","o1087","o1088","10.1107/S1600536801017536","","","0.7107","MoKα","","0.0415","0.0398","","","","0.1059","","","","","","1.082","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200599","6.6593","0.0005","7.0878","0.0006","11.7358","0.0007","90","","90","","90","","553.93","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-picoline","2-methylpyridine","","- C6 H7 N -","- C6 H7 N -","- C24 H28 N4 -","4","1","BT6088","Bond, Andrew D.; Davies, John E.","2-Picoline","Acta Crystallographica Section E","2001","57","11","o1089","o1090","10.1107/S1600536801017548","","","0.7107","MoKα","","0.0679","0.0621","","","","0.1809","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200600","43.717","0.005","8.0751","0.001","7.2651","0.0012","90","","96.86","0.006","90","","2546.4","0.6","291","1","291","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 -","- C18 H16 -","- C144 H128 -","8","1","BT6089","Jovanovic, Jovan; Schürmann, Markus; Preut, Hans; Spiteller, Michael","Second modification of (<i>E</i>)-2,3,2',3'-tetrahydro-[1,1']biindenylidene","Acta Crystallographica Section E","2001","57","11","o1100","o1101","10.1107/S1600536801017767","","","0.71073","MoKα","","0.2648","0.05","","","","0.0968","","","","","","0.832","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200601","5.572","0.001","15.53","0.001","27.221","0.002","90","","90","","90","","2355.5","0.5","123","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O9 -","- C27 H26 O9 -","- C108 H104 O36 -","4","1","BT6091","Carr, Jenny M.; Draffin, Scott P.; Duggan, Peter J.; Fallon, Gary D.; Humphrey, David G.","<small>D</small>-Mannitol-1,2,6-tribenzoate","Acta Crystallographica Section E","2001","57","11","o1118","o1119","10.1107/S1600536801018074","","","0.71073","MoKα","","0.0478","0.0357","","","","0.0873","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200602","7.5572","0.0015","9.0637","0.0018","10.997","0.002","74.17","0.03","84.5","0.03","89.74","0.03","721.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","bis(acetylacetonato)diaquanickel(II) monohydrate","","- C10 H20 Ni O7 -","- C10 H20 Ni O7 -","- C20 H40 Ni2 O14 -","2","1","CF6067","Zhou, Xing-Fu; Han, Ai-Jie; Chu, Dao-Bao; Huang, Zi-Xiang","Electrochemical synthesis and a redetermination of Ni(acac)~2~(H~2~O)~2~·H~2~O","Acta Crystallographica Section E","2001","57","11","m506","m508","10.1107/S1600536801016208","","","0.71073","MoKα","","0.0439","0.0402","","","","0.1111","","","","","","1.037","","","","has coordinates","206183","2020-10-21","18:00:00",""
"2200603","5.9498","0.0002","9.7014","0.0004","24.7207","0.0009","90","","90","","90","","1426.91","0.09","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","CF6072","El Jamili, H.; Auhmani, A.; Dakir, M.; Benharref, A.; Kossareva, E.; Pierrot, M.","(1<i>R</i>,6<i>S</i>,7<i>R</i>)-Himachal-2-ène-6,7-diol","Acta Crystallographica Section E","2001","57","10","o904","o905","10.1107/S1600536801014374","","","0.71073","MoKα","","0.0488","0.0456","","","","0.1166","","","","","","1.136","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200604","21.266","0.009","21.266","0.009","7.873","0.005","90","","90","","120","","3083","3","298","","","","","","","","","","","3","P 32","P 32","145","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C135 H234 O27 -","9","3","CF6073","El Jamili, H.; Auhmani, A.; Dakir, M.; Benharref, A.; Kossareva, E.; Pierrot, M.","(1<i>S</i>,2<i>S</i>,3<i>R</i>,6<i>S</i>,7<i>R</i>)-3,6-Epoxyhimachalane-2,7-diol","Acta Crystallographica Section E","2001","57","10","o925","o927","10.1107/S160053680101457X","","","0.71073","MoKα","","0.0389","0.0373","","","","0.0899","","","","","","1.094","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200605","5.995","0.002","10.242","0.004","14.292","0.005","93.37","0.006","90.595","0.006","103.557","0.006","851.4","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","r-1,c-2,t-3,t-4-1,3-bis(4-methoxyphenyl)-2,4-bis[2-(5-phenyl-1,3,4- oxadiazolyl)]cyclobutane","","- C38 H36 N4 O6 -","- C38 H36 N4 O6 -","- C38 H36 N4 O6 -","1","0.5","CF6094","Yan, Zheng; Jun-Peng, Zhuang; Wen-Qin, Zhang; Xue-Bing, Leng; Lin-Hong, Weng","<i>r</i>-1,<i>c</i>-2,<i>t</i>-3,<i>t</i>-4-1,3-Bis(4-methoxyphenyl)-2,4-bis(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutane 1,4-dioxane solvate","Acta Crystallographica Section E","2001","57","11","o1029","o1031","10.1107/S160053680101683X","","","0.71073","MoKα","","0.1523","0.0678","","","","0.1674","","","","","","0.968","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200606","8.733","0.0002","5.871","0.0003","15.307","0.0006","90","","90.535","0.001","90","","784.78","0.05","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N,N'-bis(salicylidene)-1,4,butanediamine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","CF6103","Kennedy, Alan R.; Reglinski, John","<i>N</i>,<i>N</i>'-Bis(salicylidene)-1-4-butanediamine","Acta Crystallographica Section E","2001","57","11","o1027","o1028","10.1107/S1600536801016269","","","0.71073","MoKα","","0.1181","0.0626","","0.1351","0.1058","","","","1.194","1.231","1.231","","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200607","7.287","0.007","10.725","0.009","7.452","0.008","90","","90.37","0.09","90","","582.4","1","5","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6DMP","2,6 dimethylpyrazine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CF6104","Kaiser-Morris, Erika; Nicolaï, Beatrice; Cousson, Alain; Paulus, Werner; Fillaux, Francois","2,6-Dimethylpyrazine at 5K: a neutron-diffraction study","Acta Crystallographica Section E","2001","57","11","o1116","o1117","10.1107/S1600536801017846","","neutron","0.8308","Neutron","","","0.0323","","","","0.016","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200608","7.288","0.005","10.73","0.01","7.444","0.007","90","","90.1","0.08","90","","582.1","0.9","20","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6DMP","2,6-dimethylpyrazine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CF6105","Kaiser-Morris, Erika; Nicolaï, Beatrice; Cousson, Alain; Paulus, Werner; Fillaux, Francois","2,6-Dimethylpyrazine at 20K: a neutron-diffraction study","Acta Crystallographica Section E","2001","57","11","o1113","o1115","10.1107/S1600536801017834","","neutron","0.8308","Neutron","","","0.0311","","","","0.0186","","","","","","1.0328","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200609","7.328","0.002","16.366","0.004","11.131","0.003","90","","99.33","0.02","90","","1317.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(2-nitrophenyl)hydrazono]-4H-naphthalen-1-one","","- C16 H11 N3 O3 -","- C16 H11 N3 O3 -","- C64 H44 N12 O12 -","4","1","CF6106","Yatsenko, A. V.; Paseshnichenko, K. A.","π‒π Stacks and C‒H···O bonded sheets in 4-[(2-nitrophenyl)hydrazono]-4<i>H</i>-naphthalen-1-one","Acta Crystallographica Section E","2001","57","11","o1025","o1026","10.1107/S160053680101621X","","","0.71073","MoKα","","0.0748","0.045","","","","0.1077","","","","","","1.309","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200610","10.0853","0.0002","10.0892","0.0002","30.1129","0.0007","88.403","0.002","88.589","0.009","90.021","0.001","3061.95","0.11","180","2","180","2","","","","","","","","4","P 1","P 1","1","","Pentacyclohexyloxyphosphorane","","- C30 H55 O5 P -","- C30 H55 O5 P -","- C120 H220 O20 P4 -","4","4","CF6107","Davies, John E.; Kirby, Anthony J.; Roussev, Christo D.","Pentacyclohexyloxyphosphorane","Acta Crystallographica Section E","2001","57","11","o994","o995","10.1107/S1600536801015951","","","0.71073","MoKα","","0.0499","0.0435","","","","0.1078","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200611","11.6008","0.0008","13.459","0.003","12.0597","0.0012","90","","118.611","0.009","90","","1653","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","piperidine","2,6-Diphenyl-3-isopropylpiperidin-4-one","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","CF6108","M. Nilofar Nissa; D. Velmurugan; S. Narasimhan; V. Rajagopal; Moon-Jib Kim","2,6-Diphenyl-3-isopropylpiperidin-4-one","Acta Crystallographica Section E","2001","57","11","o996","o998","10.1107/S1600536801016026","","","0.71073","MoKα","","0.1832","0.0628","","","","0.1949","","","","","","0.96","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200612","8.1138","0.0002","9.5567","0.0002","11.9553","0.0003","90","","90","","90","","927.03","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-1,2-diammoniocyclohexane dichloride","","- C6 H16 Cl2 N2 -","- C6 H16 Cl2 N2 -","- C24 H64 Cl8 N8 -","4","1","CF6109","Farrugia, Louis J.; Cross, Ronald J.; Barley, Helen R. L.","(1<i>R</i>,2<i>R</i>)-1,2-Diammoniocyclohexane dichloride","Acta Crystallographica Section E","2001","57","11","o992","o993","10.1107/S1600536801015872","","","0.71073","MoKα","","0.0181","0.0174","","","","0.0465","","","","","","1.063","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200613","16.435","0.005","7.562","0.005","16.527","0.004","90","","90.28","0.02","90","","2054","1.6","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","cis-(2-amino-1,1-dimethylethylamine)-dichloro-palladium(II) ethanol solvate","","- C5 H15 Cl2 N2 O0.5 Pd -","- C5 H15 Cl2 N2 O0.5 Pd -","- C40 H120 Cl16 N16 O4 Pd8 -","8","1","CF6110","Farrugia, Louis J.; Cross, Ronald J.; Barley, Helen R. L.","<i>cis</i>-(2-Amino-1,1-dimethylethylamine)dichloropalladium(II) ethanol hemisolvate","Acta Crystallographica Section E","2001","57","11","m494","m495","10.1107/S1600536801015884","","","0.71073","MoKα","","0.0352","0.0258","","","","0.0583","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200614","17.6676","0.0007","17.6676","0.0007","17.6676","0.0007","90","","90","","90","","5514.8","0.4","293","2","293","2","","","","","","","","6","P b -3","-p 2bc 2ac 3","","","Tetraethylammonium trichloro(triphenylphosphine)nickelate(II)","","- C26 H35 Cl3 N Ni P -","- C25.9999 H34.9998 Cl3 N Ni P -","- C207.999 H279.998 Cl24 N8 Ni8 P8 -","8","","CF6111","Smith, Matt C.; Davies, Sian C.; David L. Hughes; David J. Evans","Tetraethylammonium trichloro(triphenylphosphine)nickelate(II)","Acta Crystallographica Section E","2001","57","11","m509","m510","10.1107/S1600536801016348","","","0.71069","Mo-Kα","","0.155","0.0546","","0.1767","","0.1767","","","0.958","","","1.203","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200615","9.401","0.001","15.77","0.001","16.845","0.001","90","","95.581","0.001","90","","2485.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium(1+) tetrachloroaquaoxomolybdate(1-)","","- C16 H38 Cl4 Mo N O2 -","- C16 H38 Cl4 Mo N O2 -","- C64 H152 Cl16 Mo4 N4 O8 -","4","1","CF6112","Wu, Chuan-De; Zhang, Quan-Zheng; Lu, Can-Zhong; Zhuang, Hong-Hui; Huang, Jin-Shun","Tetrabutylammonium aquatetrachlorooxomolybdate(V)","Acta Crystallographica Section E","2001","57","11","m511","m513","10.1107/S1600536801016919","","","0.71073","MoKα","","","0.0496","","","","0.1239","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200616","18.1968","0.0013","7.2601","0.0005","6.7498","0.0003","90","","90","","90","","891.72","0.1","150","2","150","2","","","","","","","","2","P n m a","-P 2ac 2n","62","γ-Terpinene","1-isopropyl-4-methyl-1,4-cyclohexadiene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","0.5","CF6113","Bond, Andrew D.; Davies, John E.","γ-Terpinene","Acta Crystallographica Section E","2001","57","11","o1032","o1033","10.1107/S1600536801016920","","","0.7107","MoKα","","0.0692","0.0489","","","","0.1393","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200617","6.052","0.0007","10.2748","0.0007","7.1621","0.0009","90","","91.335","0.004","90","","445.24","0.08","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1R)-(-)-Fenchone","(-)-1,3,3-trimethyl-2-norbornanone","","- C10 H16 O -","- C10 H16 O -","- C20 H32 O2 -","2","1","CF6114","Bond, Andrew D.; Davies, John E.","(1<i>R</i>)-({-})-Fenchone","Acta Crystallographica Section E","2001","57","11","o1034","o1035","10.1107/S1600536801016932","","","0.7107","MoKα","","0.0605","0.0558","","","","0.1565","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200618","4.126","0.001","17.779","0.003","10.268","0.003","90","","90","","90","","753.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-thiocoumarin","2H-chromene-2-thione","","- C9 H6 O S -","- C9 H6 O S -","- C36 H24 O4 S4 -","4","1","CF6115","Munshi, Parthapratim; Guru Row, T. N.","2<i>H</i>-Chromene-2-thione","Acta Crystallographica Section E","2001","57","12","o1175","o1176","10.1107/S1600536801019067","","","0.71073","MoKα","","0.1638","0.0541","","","","0.1855","","","","","","0.84","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200619","9.0763","0.0002","12.8096","0.0003","13.0012","0.0003","83.522","0.002","75.195","0.002","69.2873","0.0014","1366.51","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Chloro(dimethylamino-1-ethylindenyl)(triphenylphosphine)nickel(II)","","- C31 H31 Cl N Ni P -","- C31 H31 Cl N Ni P -","- C62 H62 Cl2 N2 Ni2 P2 -","2","1","CF6116","Groux, Laurent F.; Zargarian, Davit","Chloro[1-(dimethylaminoethyl)indenyl](triphenylphosphine)nickel(II)","Acta Crystallographica Section E","2001","57","11","m547","m548","10.1107/S1600536801017925","","","1.54178","CuKα","","0.0609","0.0597","","0.1699","","0.168","","","1.057","","","1.069","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200620","11.5792","0.0006","13.0972","0.0008","9.0779","0.0005","96.78","0.005","93.245","0.004","82.833","0.004","1355.18","0.13","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 B N O4 -","- C32 H28.3 B N O4 -","- C64 H56.6 B2 N2 O8 -","2","1","CF6117","Wolfgang Kliegel; Jörg Metge; Brian O. Patrick; Steven J. Rettig; James Trotter","An OBONC five-membered heterocycle","Acta Crystallographica Section E","2001","57","11","o1120","o1122","10.1107/S1600536801018037","","","1.5418","CuKα","","0.069","0.04","","0.056","","0.038","","","","","","0.966","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200621","6.709","0.005","9.958","0.005","17.743","0.005","95.757","0.005","94.587","0.005","105.6","0.005","1128.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","spiropyrrolidine","Spiro[2-carbomethoxy-5-(4-methoxyphenyl)-3-phenylpyrrolidine-4,3'-chroman- 4'-one]","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C54 H50 N2 O10 -","2","1","CF6118","M. Nilofar Nissa; V. Rajakannan; Moon-Jib Kim; D. Velmurugan","Spiro[2-carbomethoxy-5-(4-methoxyphenyl)-3-phenylpyrrolidine-4,3'-chroman-4'-one]","Acta Crystallographica Section E","2001","57","12","o1230","o1232","10.1107/S1600536801019961","","","0.71073","MoKα","","0.0695","0.0433","","","","0.128","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200622","9.245","0.002","8.4082","0.0017","26.633","0.0015","90","","94.802","0.011","90","","2063","0.6","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2S*, 3R*, 4S*, 5R*)-3-(S*-1-benzyloxyethyl)-4-methyl-4-nitro-5- phenylproline methyl ester","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","CF6119","Linden, Anthony; Ayerbe, Mirari; Arrieta, Ana; Zubia, Aizpea; Vivanco, Silvia; Erquicia, Edurne; Aldaba, Eneko; Cossío, Fernando P.; Lecea, Begoña","(2<i>S</i>*,3<i>R</i>*,4<i>S</i>*,5<i>R</i>*)-3-(<i>S</i>*-1-Benzyloxyethyl)-4-methyl-4-nitro-5-phenylproline methyl ester","Acta Crystallographica Section E","2001","57","11","o1123","o1125","10.1107/S1600536801018104","","","0.71073","MoKα","","0.1019","0.0494","","","","0.1422","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200623","7.5489","0.0002","4.8968","0.0002","17.0874","0.0006","90","","93.8964","0.0019","90","","630.18","0.04","291","1","291","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 -","- C18 H16 -","- C36 H32 -","2","0.5","CF6120","Jovanovic, Jovan; Schürmann, Markus; Preut, Hans; Spiteller, Michael","1,3,1',3'-Tetrahydro-[2,2']biindenylidene","Acta Crystallographica Section E","2001","57","12","o1139","o1140","10.1107/S1600536801018311","","","0.71073","MoKα","","0.0687","0.038","","","","0.1009","","","","","","0.904","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200624","8.7773","0.0005","20.3849","0.0011","8.9935","0.0004","90","","107.427","0.003","90","","1535.3","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4,6-Collidine","2,4,6-Trimethylpyridine","","- C8 H11 N -","- C8 H11 N -","- C64 H88 N8 -","8","2","CF6121","Bond, Andrew D.; Davies, John E.","2,4,6-Collidine","Acta Crystallographica Section E","2001","57","12","o1141","o1142","10.1107/S1600536801018396","","","0.71073","MoKα","","0.0927","0.0707","","","","0.1931","","","","","","1.129","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200625","27.083","0.002","10.0911","0.001","20.304","0.002","90","","110.212","0.003","90","","5207.3","0.8","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 S8 -","- C26 H20 S8 -","- C208 H160 S64 -","8","1","CF6122","Gelbrich, Thomas; Roberts-Bleming, Susan J.; Kalaji, Maher; Murphy, Patrick J.; Hursthouse, Michael B.","4,5,4',5'-Tetrakis(2-methyl-thiophen-3-yl)-[2,2']bi[[1,3]dithiolylidene]","Acta Crystallographica Section E","2001","57","12","o1143","o1144","10.1107/S1600536801018529","","","0.71073","MoKα","","0.1458","0.0716","","","","0.1378","","","","","","1.089","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200626","10.409","0.001","11.922","0.002","10.291","0.001","109.78","0.01","94.96","0.01","110.61","0.01","1093.7","0.3","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 Cl3 N O2 -","- C7 H12 Cl3 N O2 -","- C28 H48 Cl12 N4 O8 -","4","2","CF6123","Wolfgang Kliegel; Ulf Riebe; Brian O. Patrick; Steven J. Rettig; James Trotter","Chloral adduct of <i>N</i>-hydroxypiperidine","Acta Crystallographica Section E","2001","57","12","o1173","o1174","10.1107/S1600536801018864","","","1.54178","CuKα","","","0.043","","","","0.046","","","","","","1.95","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200627","17.669","0.008","7.921","0.002","15.598","0.004","90","","106.1","0.01","90","","2097.4","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(N,N,N'-Trimethylethylenediamine)-lithium indenide","","- C19 H35 Li N4 -","- C19 H35 Li N4 -","- C76 H140 Li4 N16 -","4","0.5","","Boche, Gernot; Ledig, Burkhard; Marsch, Michael; Harms, Klaus","[Indenyllithium.2(N,N,N'-trimethylethylenediamine)]~\ιnfty~: N—H hydrogen bridges to the indenyl anion","Acta Crystallographica Section E","2001","57","12","m570","m572","10.1107/S1600536801018876","","","1.54178","CuKα","","0.0488","0.0401","","","","0.1138","","","","","","1.073","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2200628","6.8206","0.0003","9.5663","0.0004","11.933","0.0004","97.092","0.001","97.502","0.001","100.954","0.002","749.03","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","8a-Ethyl 2-methyl (4aR,8aS)-3-oxoperhydro-2,8a-naphthalenedicarboxylate","","- C15 H22 O5 -","- C15 H22 O5 -","- C30 H44 O10 -","2","1","CF6125","H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Hoong-Kun Fun","8a-Ethyl 2-methyl (4a<i>R</i>,8a<i>S</i>)-3-oxoperhydro-2,8a-naphthalenedicarboxylate","Acta Crystallographica Section E","2001","57","12","o1235","o1236","10.1107/S1600536801020220","","","0.71073","MoKα","","0.0733","0.0562","","","","0.1119","","","","","","0.89","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200629","13.1141","0.0006","3.8137","0.0001","13.1699","0.0007","90","","90.033","0.002","90","","658.67","0.05","120","2","396","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Dichloroaniline","","- C6 H5 Cl2 N -","- C6 H5 Cl2 N -","- C24 H20 Cl8 N4 -","4","1","CF6126","Philip J Cox","2,5-Dichloroaniline, a monoclinic structure with a pseudo-tetragonal unit cell","Acta Crystallographica Section E","2001","57","12","o1203","o1205","10.1107/S1600536801019511","","","0.71073","MoKα","","0.0284","0.0264","","","","0.0738","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200630","15.6898","0.0006","10.5854","0.0004","7.5745","0.0002","90","","90","","90","","1257.99","0.08","120","2","120","2","","","","","","","","2","P b c n","-P 2n 2ab","60","Styrene","Styrene","","- C8 H8 -","- C8 H8 -","- C64 H64 -","8","1","CF6127","Bond, Andrew D.; Davies, John E.","Styrene at 120K","Acta Crystallographica Section E","2001","57","12","o1191","o1193","10.1107/S1600536801019195","","","0.7107","MoKα","","0.0505","0.0376","","","","0.1004","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200631","5.1787","0.0005","9.9128","0.0018","18.918","0.005","90","","90","","90","","971.2","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","CF6128","Gallagher, John F.; Murphy, Carol","Intermolecular hydrogen bonding in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)propanoic acid","Acta Crystallographica Section E","2001","57","12","o1227","o1229","10.1107/S1600536801019754","","","0.71073","MolybdenumKα","","0.053","0.039","","","","0.087","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200632","15.4398","0.0017","12.8818","0.0014","8.1537","0.0009","90","","92.89","0.002","90","","1619.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-O)-diaqua-(2,2'-bipyridine,N,N')cobalt(II)","","- C14 H18 Co N2 O6 -","- C14 H18 Co N2 O6 -","- C56 H72 Co4 N8 O24 -","4","0.5","CF6129","Carballo, Rosa; Covelo, Berta; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Bis(acetato-<i>O</i>)diaqua(2,2'-bipyridyl-<i>N,N</i>')cobalt(II) (OC-13): a two-dimensional material","Acta Crystallographica Section E","2001","57","12","m597","m599","10.1107/S160053680101995X","","","0.71073","MoKα","","0.0402","0.0322","","","","0.0836","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200633","4.8118","0.0003","15.4697","0.0014","9.7712","0.0008","90","","101.798","0.005","90","","711.97","0.1","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","p-Xylene-α,α'-diol","1,4-Benzenedimethanol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","CF6130","Shan, Ning; Jones, William","1,4-Benzenedimethanol","Acta Crystallographica Section E","2001","57","12","o1233","o1234","10.1107/S1600536801019973","","","0.71073","MoKα","","0.0552","0.0401","","","","0.101","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200634","17.8146","0.0002","13.165","0.0002","20.2171","0.0004","90","","90.84","0.01","90","","4740.99","0.13","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,15-bis(4-pyridyl)-2,8,12,18-tetra-n-butyl-3,7,13,17- tetramethylporphyrinato zinc(II) chloroform solvate","","- C51 H59 Cl3 N6 Zn -","- C51 H59 Cl3 N6 Zn -","- C204 H236 Cl12 N24 Zn4 -","4","1","CI6042","Wild, Kirstie Y.; Therrien, Bruno; Plieger, Paul G.; Officer, David L.; Burrell, Anthony K.","[5,15-Bis(4-pyridyl)-2,8,12,18-tetra-<i>n</i>-butyl-3,7,13,17-tetramethylporphyrinato]zinc(II) chloroform solvate","Acta Crystallographica Section E","2001","57","10","m478","m479","10.1107/S1600536801015264","","","0.71073","MoKα","","0.124","0.065","","","","0.169","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200635","14.191","0.002","10.655","0.001","15.917","0.002","90","","90","","90","","2406.7","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Dichlorobis(sarcosinato)zinc(II)","Dichlorobis(sarcosinato)zinc(II)","","- C6 H14 Cl2 N2 O4 Zn -","- C6 H14 Cl2 N2 O4 Zn -","- C48 H112 Cl16 N16 O32 Zn8 -","8","1","CI6057","Subha Nandhini, M.; Krishnakumar, R. V.; Natarajan, S.","Dichlorobis(sarcosinato)zinc(II)","Acta Crystallographica Section E","2001","57","10","m435","m437","10.1107/S1600536801014775","","","1.5418","CuKα","","0.031","0.028","","","","0.075","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200636","7.309","0.001","8.541","0.001","13.412","0.001","90","","96.89","0.01","90","","831.21","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","octafluoronaphthalene : 1,8-diaminonaphthalene (1/1)","","- C20 H10 F8 N2 -","- C20 H10 F8 N2 -","- C40 H20 F16 N4 -","2","1","CI6058","Batsanov, Andrei S.; Collings, Jonathan C.; Howard, Judith A. K.; Marder, Todd B.","Octafluoronaphthalene‒1,8-diaminonaphthalene (1/1)","Acta Crystallographica Section E","2001","57","10","o950","o952","10.1107/S1600536801015100","","","0.71073","MoKα","","0.036","0.03","","","","0.083","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200637","7.9692","0.0008","11.1288","0.0011","13.5622","0.0013","107.529","0.002","104.567","0.002","101.135","0.002","1061.92","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-3-(4-methylphenylsulfonyl)-2-(4-methylphenylsulfonylimino)benzimidazole","","- C22 H21 N3 O4 S2 -","- C22 H21 N3 O4 S2 -","- C44 H42 N6 O8 S4 -","2","1","CI6059","Beloso, Inmaculada; Castro, Jesús; Pérez-Lourido, Paulo","1-Methyl-3-(4-methylphenylsulfonyl)-2-(4-methylphenylsulfonylimino)benzimidazole","Acta Crystallographica Section E","2001","57","11","o1067","o1069","10.1107/S1600536801016075","","","0.71073","MoKα","","0.067","0.048","","","","0.127","","","","","","1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200638","9.399","0.006","11.836","0.009","8.041","0.003","97.64","0.05","111.08","0.03","71.83","0.07","792.8","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Pachypodol","4,5'-dihydroxy-3,3',7-trimethoxyflavone","","- C18 H16 O7 -","- C18 H16 O7 -","- C36 H32 O14 -","2","1","CI6060","Graham Smith; Ertong Wang; John P. Bartley; Raymond C. Bott","Pachypodol (4,5'-dihydroxy-3,3',7-trimethoxyflavone)","Acta Crystallographica Section E","2001","57","10","o973","o975","10.1107/S1600536801015252","","","0.71069","MoKα","","0.131","0.045","","","","0.155","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200639","12.18","0.007","10.98","0.003","7.729","0.003","99.75","0.01","108.7","0.02","79","0.3","954.6","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","tetra-mu-acetato-O:O'-bis(quinoline-N)diruthenium(II,III)hexafluorophosphate quinoline solvate","","- C35 H33 F6 N3 O8 P Ru2 -","- C35 H33 F6 N3 O8 P Ru2 -","- C35 H33 F6 N3 O8 P Ru2 -","1","0.5","CI6061","Gilfoy, Heather J.; Robertson, Katherine N.; Cameron, T. Stanley; Aquino, Manuel A.S.","Tetra-μ-acetato-<i>O</i>:<i>O</i>'-bis(quinoline-<i>N</i>)diruthenium(II,III) hexafluorophosphate quinoline solvate","Acta Crystallographica Section E","2001","57","11","m496","m497","10.1107/S1600536801016063","","","1.5418","CuKα","","0.057","0.043","","","","0.131","","","","","","1.05","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2200640","11.056","0.0009","5.3326","0.0004","11.4712","0.0007","90","0.01","101.07","0.01","90","0.01","663.73","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium maleate","L-Phenylalaninium maleate","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","CI6062","M. Alagar; R. V. Krishnakumar; S. Natarajan","<small>L</small>-Phenylalaninium maleate","Acta Crystallographica Section E","2001","57","10","o968","o970","10.1107/S1600536801015240","","","1.5418","CuKα","","0.03","0.028","","","","0.078","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200641","7.1468","0.0002","14.8464","0.0005","15.1091","0.0005","90","","97.41","0.001","90","","1589.75","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,5-Dichloro-3,6-diphenyl-3-azabicyclo[3.2.0]-hept-6-ene-2,4-dione","","- C18 H11 Cl2 N O2 -","- C18 H11 Cl2 N O2 -","- C72 H44 Cl8 N4 O8 -","4","1","CI6063","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Bao-Guo Zhao; Jian-Hua Xu","1,5-Dichloro-3,6-diphenyl-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione","Acta Crystallographica Section E","2001","57","10","o990","o991","10.1107/S1600536801015665","","","0.71073","MoKα","","0.076","0.055","","","","0.132","","","","","","0.89","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200642","7.5566","0.0005","10.3679","0.0007","12.7275","0.0008","102.273","0.001","100.562","0.001","100.703","0.001","931.28","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[α-benzoyl-α-(2-phenylethynyl)methylene]isoquinoline-1,3-dione","","- C25 H15 N O3 -","- C25 H15 N O3 -","- C50 H30 N2 O6 -","2","1","CI6064","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","4-[α-Benzoyl-α-(2-phenylethynyl)methylene]isoquinoline-1,3-dione","Acta Crystallographica Section E","2001","57","11","o1055","o1057","10.1107/S1600536801016956","","","0.71073","MoKα","","0.099","0.074","","","","0.195","","","","","","0.91","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200643","4.7919","0.0009","15.775","0.003","25.228","0.005","90","","90","","90","","1907","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-Di-2-methoxyphenylpyridine-2,6-dicarboxamide","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","CI6065","Yang, Qi Yun; Zhou, Zhong Yuan; Qi, Jian Ying","<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)pyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2001","57","12","o1161","o1162","10.1107/S1600536801018694","","","0.71073","MoKα","","0.142","0.041","","","","0.104","","","","","","0.85","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200644","6.183","0.0012","9.648","0.0019","10.534","0.002","104.92","0.03","106.32","0.03","104.4","0.03","546.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","DL-valinium maleate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C18 H30 N2 O12 -","2","1","CI6067","M. Alagar; R. V. Krishnakumar; A. Mostad; S. Natarajan","<small>DL</small>-Valinium maleate at 150K","Acta Crystallographica Section E","2001","57","11","o1102","o1104","10.1107/S1600536801017391","","","0.71073","MoKα","","0.049","0.045","","","","0.134","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200645","7.0167","0.0009","9.137","0.001","12.43","0.001","90.77","0.01","99.736","0.009","95.7","0.01","781.17","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-aminobenzenesulfonamide 3,5-dinitrosalicylate","","","- C13 H12 N4 O9 S -","- C13 H12 N4 O9 S -","- C26 H24 N8 O18 S2 -","2","1","CI6068","Graham Smith; Urs D. Wermuth; Jonathan M. White","The 1:1 proton-transfer compound of sulfanilamide with 3,5-dinitrosalicylic acid","Acta Crystallographica Section E","2001","57","11","o1036","o1038","10.1107/S1600536801016841","","","0.71069","MoKα","","0.045","0.037","","","","0.098","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200646","19.929","0.001","4.3417","0.0002","22.788","0.002","90","","91.4","0.01","90","","1971.2","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","1,3-bis(8-chlorotheophyllin-7-yl)propane","1,3-bis(8-chlorotheophyllin-7-yl)propane","","- C17 H18 Cl2 N8 O4 -","- C17 H18 Cl2 N8 O4 -","- C68 H72 Cl8 N32 O16 -","4","0.5","CI6069","Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Sharon, Ashoke; Rawat, Diwan S.; Bal, Chandralata","1,3-Bis(8-chlorotheophyllin-7-yl)propane: a molecule with no intramolecular stacking","Acta Crystallographica Section E","2001","57","12","o1163","o1165","10.1107/S1600536801018670","","","0.71073","MoKα","","0.047","0.037","","","","0.098","","","","","","1.07","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200647","8.9118","0.0018","9.4953","0.0019","23.628","0.005","90","","90","","90","","1999.4","0.7","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cinnamonylaceton","6-phenyl-hex-5-ene-2,3-dione","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","1","CI6070","Arrieta, Antonio F.; Arvid Mostad","Orthorhombic form of 6-phenylhex-5-ene-2,4-dione","Acta Crystallographica Section E","2001","57","12","o1198","o1199","10.1107/S1600536801018669","","","0.71073","MoKα","","0.051","0.041","","","","0.137","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200648","8.957","0.001","9.667","0.001","9.827","0.001","110.1","0.01","92.42","0.01","110.39","0.01","736.21","0.16","293","2","293","2","","","","","","","","3","P 1","P 1","1","Rearranged taxoid","10,13-Deacetyl abeo-baccatin IV","","- C28 H40 O12 -","- C28 H40 O12 -","- C28 H40 O12 -","1","1","CI6071","Chattopadhyay, Sunil K.; Sharon, Ashoke; Yadav, Umesh; Srivastava, Sachin; Mehta, Vijay K.; Maulik, Prakas R.","A taxane diterpenoid from the needles of <i>Taxus wallichiana</i>","Acta Crystallographica Section E","2001","57","12","o1158","o1160","10.1107/S1600536801018773","","","0.71073","MoKα","","0.039","0.038","","","","0.105","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200649","14.2875","0.0004","14.5396","0.0004","20.2212","0.0006","90","","101.504","0.001","90","","4116.3","0.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorotri(p-methoxyphenyl)phosphinegold(I)","","- C21 H21 Au Cl O3 P -","- C21 H21 Au Cl O3 P -","- C168 H168 Au8 Cl8 O24 P8 -","8","1","CI6073","Soo Yei, Ho; Tiekink, Edward R. T.","Chloro[tris(<i>p</i>-methoxyphenyl)phosphine]gold(I)","Acta Crystallographica Section E","2001","57","11","m549","m550","10.1107/S1600536801017895","","","0.71069","MoKα","","0.036","0.028","","","","0.064","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200650","9.5207","0.001","9.1141","0.001","14.1033","0.0014","90","","101.957","0.008","90","","1197.2","0.2","89","2","89","2","","","","","","","","6","P 1 21 1","P 2yb","4","oxazolidinone derivative","(3R,4S,5R,6R)-5-[(1R)-1-Chloro(phenylmethyl)]-3-[(4-methylphenyl) sulfonyl]-4-phenyl-1-aza-8-oxabicyclo[4.3.0]nonan-9-one","","- C27 H26 Cl N O4 S -","- C27 H26 Cl N O4 S -","- C54 H52 Cl2 N2 O8 S2 -","2","1","CI6075","Mariuska Reynoso-Paz; Marilyn M. Olmstead; Mark J. Kurth; Neil E. Schore","An enantiopure bicyclic pentasubstituted piperidine","Acta Crystallographica Section E","2001","57","12","o1177","o1178","10.1107/S1600536801019055","","","0.71073","MoKα","","0.037","0.03","","","","0.071","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200651","7.949","0.005","11.54","0.007","12.118","0.007","83.2","0.011","85.971","0.012","77.557","0.011","1076.7","1.1","293","2","","","","","","","","","","4","P -1","-P 1","2","","3,6-di-2-pyridyl-1-H-4-(1,4-di-2-pyridyl-2,3-diaze-4-carbonyl)-1-yl- 1,2,4,5-tetrazine","","- C24 H18 N10 O -","- C24 H18 N10 O -","- C48 H36 N20 O2 -","2","1","CI6079","Li-Ya Wang; Chun-Xia Du; Yu-Qin Fu","3,6-Di-2-pyridyl-4-{[(2-pyridyl)carbonyldiazenyl](2-pyridyl)methyl}-1<i>H</i>-1,2,4,5-tetrazine: the proton-assisted hydrolysis product of 3,6-di-2-pyridyl-1,2,4,5-tetrazine (dptz)","Acta Crystallographica Section E","2001","57","12","o1237","o1239","10.1107/S1600536801020049","","","0.71073","MoKα","","0.175","0.056","","","","0.086","","","","","","0.88","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200652","11.782","0.004","10.288","0.003","20.461","0.003","90","","100.2","0.02","90","","2440.9","1.2","298","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N O -","- C14 H14 Cl N O -","- C112 H112 Cl8 N8 O8 -","8","2","CI6084","A. Thiruvalluvar; V. Parthasarathi; V. Kabaleeswaran; S. S. Rajan; A. Nagarajan; M. Krishna Pillay","5-(4-Chlorophenyl)-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-ene","Acta Crystallographica Section E","2001","57","12","o1240","o1241","10.1107/S1600536801020268","","","1.5418","CuKα","","","0.047","","","","0.144","","","","","","1.05","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2200653","11.6758","0.0001","12.9704","0.0001","15.2874","0.0002","110.272","0.0004","109.81","0.0005","92.8572","0.0004","2006.16","0.04","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(triphenylphosphine oxide)zinc(II)","","- C44 H46 Cl2 O4 P2 Zn -","- C44 H46 Cl2 O4 P2 Zn -","- C88 H92 Cl4 O8 P4 Zn2 -","2","1","CV6052","Zeller, A.; Herdtweck, E.; Strassner, T.","Dichlorobis(triphenylphosphine oxide)zinc(II) tetrahydrofuran disolvate","Acta Crystallographica Section E","2001","57","10","m480","m482","10.1107/S1600536801015318","","","0.71073","MoKα","","0.0359","0.0326","","","","0.0872","","","","","","1.049","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200654","7.009","","19.8634","0.0004","16.2811","0.0003","90","","101.422","0.001","90","","2221.81","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(N,N'-disalicylideneethylenediamino-N,N'O,O')(4,5-imidazoledicarboxylato- O)manganese(III) monohydrate","","- C21 H21 Mn N4 O8 -","- C21 H21 Mn N4 O8 -","- C84 H84 Mn4 N16 O32 -","4","1","CV6053","Huang, Deguang; Zhang, Xiaofeng; Zhu, Hongping; Chen, Changneng; Liu, Qiutian","Aqua(<i>N,N</i>'-disalicylideneethylenediamino-<i>N,N</i>'<i>,O,O</i>')(4,5-imidazoledicarboxylato-<i>O</i>)manganese(III) monohydrate","Acta Crystallographica Section E","2001","57","10","m441","m443","10.1107/S1600536801014817","","","0.71073","MoKα","","0.0524","0.037","","","","0.1304","","","","","","0.967","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2200655","7.266","0.002","13.925","0.003","30.327","0.006","90","","90","","90","","3068.5","1.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[dicyanamidobis(3-hydroxypyridine-N)copper(II)]-μ-dicyanamido]","","- C14 H10 Cu N8 O2 -","- C14 H10 Cu N8 O2 -","- C112 H80 Cu8 N64 O16 -","8","1","CV6054","Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","<i>catena</i>-Poly[[dicyanamidobis(3-hydroxypyridine-<i>N</i>)copper(II)]-μ-dicyanamido]","Acta Crystallographica Section E","2001","57","10","m421","m423","10.1107/S160053680101460X","","","1.5418","CuKα","","0.0543","0.0407","","","","0.1198","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200656","14.173","0.002","11.146","0.002","16.571","0.003","90","","93.82","0.01","90","","2611.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Heptacarbonyl-κ^3^C,2κ^4^C-{μ-dicyclohexyl[(η^5^)-cyclopentadienyl]- phosphine-2κP}molybdenumrhenium(Mo—Re)","","- C24 H26 Mo O7 P Re -","- C24 H26 Mo O7 P Re -","- C96 H104 Mo4 O28 P4 Re4 -","4","1","CV6055","Flörke, Ulrich","Heptacarbonyl-κ^3^<i>C</i>,2κ^4^<i>C</i>-{μ-dicyclohexyl[1(η^5^)-cyclopentadienyl]phosphine-2κ<i>P</i>}molybdenumrhenium(<i>Mo</i>‒<i>Re</i>)","Acta Crystallographica Section E","2001","57","10","m424","m425","10.1107/S1600536801014684","","","0.71073","MoKα","","0.0902","0.0429","","","","0.0898","","","","","","0.964","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200657","12.4163","0.0002","8.3038","0.0002","16.4517","0.0003","90","","106.949","0.001","90","","1622.54","0.06","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethylammonium diphenylphosphinate","","- C16 H22 N O2 P -","- C16 H22 N O2 P -","- C64 H88 N4 O8 P4 -","4","1","CV6056","Dorn, Hendrik; Lough, Alan J.; Manners, Ian","Diethylammonium diphenylphosphinate","Acta Crystallographica Section E","2001","57","10","o928","o929","10.1107/S1600536801014696","","","0.71073","MoKα","","0.047","0.0399","","","","0.1059","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200658","5.994","0.002","10.182","0.005","11.479","0.005","109.43","0.05","99.76","0.04","97.37","0.05","638.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenyl 2,4,6-tribromophenyl ether","","- C12 H7 Br3 O -","- C12 H7 Br3 O -","- C24 H14 Br6 O2 -","2","1","CV6057","Eriksson, Lars; Hu, Jiwei","Phenyl 2,4,6-tribromophenyl ether","Acta Crystallographica Section E","2001","57","10","o930","o932","10.1107/S1600536801014702","","","0.71073","MoKα","","0.0565","0.0334","","","","0.0655","","","","","","1.23","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200659","17.848","0.002","5.2214","0.0007","9.568","0.001","90","","105.7","0.01","90","","858.39","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","CV6058","Degen, Alexander; Bolte, Michael","The twinned crystal structure of 3-indolylacetic acid","Acta Crystallographica Section E","2001","57","11","o999","o1000","10.1107/S160053680101532X","","","0.71073","MoKα","","0.038","0.0286","","","","0.0743","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200660","42.138","0.002","19.4444","0.001","26.255","0.002","90","","110.969","0.01","90","","20087","2","150","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H76 F36 N6 O12.5 Zn3 -","- C90 H76 F36 N6 O12.5 Zn3 -","- C720 H608 F288 N48 O100 Zn24 -","8","1","CV6059","Coles, Simon J.; Granifo, Juan; Hursthouse, Michael B.; Osborne, Anthony G.","<i>mer</i>-Bis{2,6-bis[1-(4-<i>tert</i>-butylphenylimino)ethyl]pyridine}zinc(II) bis[tris(hexafluoroacetylacetonato)zincate(II)] diethyl ether hemisolvate","Acta Crystallographica Section E","2001","57","11","m535","m537","10.1107/S1600536801015458","","","0.71069","MoKα","","","0.0612","","","","0.129","","","","","","0.758","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200661","9.443","0.0003","10.139","0.0003","14.138","0.0007","96.023","0.001","95.676","0.001","112.223","0.002","1231.94","0.08","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","N,N'-bis(4-cyanopyridylidene)benzil dihydrazone","","- C30 H20 N6 -","- C30 H20 N6 -","- C60 H40 N12 -","2","1","CV6060","Goutam Kumar Patra; Israel Goldberg","<i>N,N</i>'-Bis(4-cyanopyridylidene)benzil dihydrazone","Acta Crystallographica Section E","2001","57","10","o988","o989","10.1107/S1600536801015768","","","0.7107","MoKα","","0.1383","0.0561","","","","0.1536","","","","","","0.972","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200662","11.918","0.0002","15.97","0.0002","33.193","0.0006","90","","90","","90","","6317.64","0.17","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetrakis(4-acetylpyridine)diisothiocyanatocobalt(II)","","- C30 H28 Co N6 O4 S2 -","- C30 H28 Co N6 O4 S2 -","- C240 H224 Co8 N48 O32 S16 -","8","1","CV6061","Goutam Kumar Patra; Israel Goldberg","Tetrakis(4-acetylpyridine)diisothiocyanatocobalt(II)","Acta Crystallographica Section E","2001","57","10","m483","m484","10.1107/S1600536801015446","","","0.71073","MoKα","","0.1039","0.0456","","","","0.1147","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200663","19.997","0.002","6.2259","0.001","13.5028","0.001","90","","103.02","0.02","90","","1637.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Dichlorobis(DL-valine)zinc(II)","Dichlorobis(DL-valine)zinc(II)","","- C10 H22 Cl2 N2 O4 Zn -","- C10 H22 Cl2 N2 O4 Zn -","- C40 H88 Cl8 N8 O16 Zn4 -","4","0.5","CV6062","M. Subha Nandhini; R. V. Krishnakumar; S. Natarajan","Dichlorobis(<small>DL</small>-valine)zinc(II)","Acta Crystallographica Section E","2001","57","11","m498","m500","10.1107/S1600536801016099","","","1.5418","CuKα","","0.0533","0.0527","","","","0.1372","","","","","","1.109","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200664","22.9292","0.0006","9.5033","0.0003","7.5152","0.0002","90","","90","","90","","1637.59","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","p-Methoxybenzaldehyde-9-fluorenylidenehydrazone","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","CV6063","Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman; Wen Ma; Yu Peng Tian; Sheng Yi Zhang; Wu Jie Ying; Fu Xin Xie","<i>p</i>-Methoxybenzaldehyde 9-fluorenylidenehydrazone","Acta Crystallographica Section E","2001","57","11","o1043","o1044","10.1107/S1600536801016555","","","0.71073","MoKα","","0.116","0.0524","","","","0.1245","","","","","","0.94","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200665","7.1944","0.0006","7.592","0.0003","15.919","0.0015","90","","90","","90","","869.49","0.11","203","2","203","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","α-Pinene","(1S)-(-)-α-Pinene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","1","","Bond, Andrew D.; Davies, John E.","(1S)-(-)-α-Pinene","Acta Crystallographica Section E","2001","57","11","o1039","o1040","10.1107/S1600536801016415","","","0.7107","MoKα","","0.0559","0.0457","","","","0.1029","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200666","7.5079","0.0003","9.3361","0.0008","12.4875","0.0011","90","","90","","90","","875.31","0.11","185","2","185","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","β-Pinene: Nopinene","(1S)-(-)-β-Pinene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","1","CV6065","Bond, Andrew D.; Davies, John E.","(1<i>S</i>)-(‒)-β-Pinene","Acta Crystallographica Section E","2001","57","11","o1041","o1042","10.1107/S1600536801016427","","","0.7107","MoKα","","0.0724","0.0603","","","","0.1552","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200667","14.042","0.002","8.924","0.002","16.091","0.003","90","","94.41","0.002","90","","2010.4","0.7","173","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hydrated sodium cytidine-5'-monophosphate","","- C9 H25 N3 Na2 O14.5 P -","- C9 H12 N3 Na2 O14.5 P -","- C36 H48 N12 Na8 O58 P4 -","4","2","CV6066","Gh. Borodi; A. Hernanz; I. Bratu; Mihaela Pop; R. Navarro","Hydrated sodium cytidine-5'-monophosphate","Acta Crystallographica Section E","2001","57","11","m514","m516","10.1107/S1600536801016786","","","0.7107","MoKα","","0.1644","0.0613","","","","0.186","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200668","7.7184","0.0015","7.8674","0.0016","25.374","0.005","90","","90","","90","","1540.8","0.5","120","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br O4 -","- C15 H19 Br O4 -","- C60 H76 Br4 O16 -","4","1","CV6067","Coles, Simon J.; Hursthouse, Michael B.","(2<i>S</i>)-1-(4-Bromophenyl)-2-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-5-(1-hydroxy-1-methylethyl)-tetrahydrofuran-2-yl]ethanone","Acta Crystallographica Section E","2001","57","11","o1061","o1062","10.1107/S1600536801017020","","","0.71073","MoKα","","","0.0691","","","","0.1931","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200669","8.9295","0.0018","14.792","0.003","25.812","0.005","90","","90","","90","","3409.4","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H27 Cl P Rh -","- C14 H27 Cl P Rh -","- C112 H216 Cl8 P8 Rh8 -","8","1","CV6068","Wendt Ola F.","Chloro(methyl)(η^5^-pentamethylcyclopentadienyl)(trimethylphosphine)rhodium(III)","Acta Crystallographica Section E","2001","57","11","m517","m518","10.1107/S1600536801016798","","","0.71073","MoKα","","0.1201","0.0537","","","","0.1652","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200670","5.3067","0.0002","9.3552","0.0006","20.0955","0.0012","90","","90","","90","","997.65","0.1","262","2","262","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 Cl O3 -","- C8 H13 Cl O3 -","- C32 H52 Cl4 O12 -","4","1","CV6069","Davies, J. E.; Hook, D. F.; Ley, S. V.","(‒)-(4<i>S</i>)-1-Chloro-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-one","Acta Crystallographica Section E","2001","57","11","o1098","o1099","10.1107/S1600536801017512","","","0.71073","MoKα","","0.058","0.0395","","0.1012","","0.0932","","","1.144","","","1.197","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200671","12.017","0.002","10.09","0.003","8.804","0.004","84.43","0.003","94.9","0.003","104.59","0.003","1026.1","0.6","293","2","290","","","","","","","","","4","P -1","-P 1","2","trimethoprim glutarate","2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium glutarate","","- C19 H26 N4 O7 -","- C19 H26 N4 O7 -","- C38 H52 N8 O14 -","2","1","CV6070","Justin Robert, Jebamony; Baskar Raj, Savarimuthu; Thomas Muthiah, Packianathan","N—H···O and O—H···O hydrogen bonds in crystal engineering: trimethoprim hydrogen glutarate","Acta Crystallographica Section E","2001","57","12","o1206","o1208","10.1107/S1600536801018001","","","1.5418","CuKα","","0.048","0.048","","0.1402","","0.1401","","","","","","1.113","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200672","7.229","0.001","23.242","0.001","20.373","0.001","90","","98.59","0.01","90","","3384.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trimethoprim sulfate trihydrate","","","- C28 H44 N8 O13 S -","- C28 H44 N8 O13 S -","- C112 H176 N32 O52 S4 -","4","1","CV6071","Thomas Muthiah, Packianathan; Umadevi, Balakrishnan; Stanley, Nithianantham; Shui, Xiugi; Eggleston, Drake S","Hydrogen bonding patterns in trimethoprim sulfate trihydrate [trimethoprim = 2,4-diamino-5-(3,4,5-methoxybenzyl)pyrimidine]","Acta Crystallographica Section E","2001","57","12","o1179","o1182","10.1107/S1600536801018657","","","0.71069","MoKα","","0.0449","0.0361","","","","0.0916","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200673","7.7864","0.0008","7.0874","0.0007","14.5616","0.0015","90","","90.174","0.002","90","","803.58","0.14","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","C18 H14 Cl2 Co N2","dichlorobis(quinoline-N)cobalt(II)","","- C18 H14 Cl2 Co N2 -","- C18 H14 Cl2 Co N2 -","- C36 H28 Cl4 Co2 N4 -","2","0.5","CV6072","Wang, Wenguo; Huang, Deguang; Zhu, Hongping; Chen, Changneng; Liu, Qiutian","Monoclinic form of dichlorobis(quinoline-<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2001","57","12","m587","m588","10.1107/S1600536801019420","","","0.71073","MoKα","","0.0362","0.0291","","","","0.0809","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200674","10.6627","0.0012","18.549","0.002","14.742","0.002","90","","95.293","0.01","90","","2903.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(trimethylsilylmethyl)bis(tetrahydrofuran-O)ytterbium(III)","","- C20 H49 O2 Si3 Yb -","- C20 H49 O2 Si3 Yb -","- C80 H196 O8 Si12 Yb4 -","4","1","CV6074","Niemeyer, Mark","A trigonal-bipyramidal coordinated ytterbium(III) alkyl: tris(trimethylsilylmethyl)bis(tetrahydrofuran-<i>O</i>)ytterbium(III)","Acta Crystallographica Section E","2001","57","12","m553","m555","10.1107/S1600536801018566","","","0.71073","MoKα","","0.094","0.055","","","","0.127","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200675","9.753","0.001","10.069","0.001","12.255","0.001","98.17","0.01","103.37","0.01","111.63","0.01","1053.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","O,O-Diphenyl 1-(3-phenylthioureido)ethanephosphonate","","- C21 H21 N2 O3 P S -","- C21 H21 N2 O3 P S -","- C42 H42 N4 O6 P2 S2 -","2","1","CV6077","Chęcińska, Lilianna; Małecka, Magdalena; Olszak, Tomasz A.; Kudzin, Zbigniew H.","<i>O,O</i>-Diphenyl 1-(3-phenylthioureido)ethanephosphonate","Acta Crystallographica Section E","2001","57","12","o1216","o1218","10.1107/S1600536801019729","","","1.54178","CuKα","","0.0779","0.051","","","","0.1301","","","","","","1.041","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200676","7.6104","0.0006","7.8699","0.0007","9.8571","0.0009","81.891","0.002","83.268","0.002","85.499","0.002","579.29","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Chlorobenzoxazolo[3,2-b]isoquinolin-6-one","","- C15 H8 Cl N O2 -","- C15 H8 Cl N O2 -","- C30 H16 Cl2 N2 O4 -","2","1","CV6078","Thangavel Ravishankar; Kandasamy Chinnakali; A. Senthilvelan; Hoong-Kun Fun; Vayalakkavoor T. Ramakrishnan; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman","2-Chlorobenzoxazolo[3,2-<i>b</i>]isoquinolin-6-one","Acta Crystallographica Section E","2001","57","12","o1209","o1210","10.1107/S1600536801019274","","","0.71073","MoKα","","0.097","0.069","","","","0.173","","","","","","0.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200677","10.061","0.001","20.561","0.001","11.375","0.001","90","","105.38","0.01","90","","2268.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","O,O-diphenyl 1-(3-phenylthioureido)-2-methylpropanephosphonate","","- C23 H25 N2 O3 P S -","- C23 H25 N2 O3 P S -","- C92 H100 N8 O12 P4 S4 -","4","1","CV6079","Chęcińska, Lilianna; Małecka, Magdalena; Olszak, Tomasz A.; Kudzin, Zbigniew H.","<i>O,O</i>-Diphenyl 2-methyl-1-(3-phenylthioureido)propanephosphonate","Acta Crystallographica Section E","2001","57","12","o1213","o1215","10.1107/S1600536801019730","","","1.54178","CuKα","","0.0714","0.0537","","","","0.141","","","","","","0.918","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200678","9.7151","0.0002","11.6911","0.0003","12.4332","0.0003","77.401","0.001","80.521","0.001","70.905","0.001","1295.65","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Trans-2-(2-bromo-4-methylphenyloxy)-cyclohexanol","","- C13 H17 Br O2 -","- C13 H17 Br O2 -","- C52 H68 Br4 O8 -","4","2","CV6080","Thangavel Ravishankar; Kandasamy Chinnakali; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman","<i>trans</i>-2-(2-Bromo-4-methylphenyloxy)cyclohexanol","Acta Crystallographica Section E","2001","57","12","o1211","o1212","10.1107/S1600536801019432","","","0.71073","MoKα","","0.0909","0.0473","","","","0.1217","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200679","7.6602","0.0015","11.12","0.002","12.572","0.003","94.09","0.03","102.64","0.03","95.77","0.03","1034.8","0.4","120","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 O5 S -","- C9 H10 O5 S -","- C36 H40 O20 S4 -","4","2","DN6004","Coles, Simon J.; Guthmann, Holger; Hursthouse, Michael B.; Murphy, Patrick J.","2-Ethyl 5-methyl 3-hydroxythiophene-2,5-dicarboxylate","Acta Crystallographica Section E","2001","57","10","o976","o977","10.1107/S1600536801015379","","","0.71073","MoKα","","","0.0845","","","","0.2677","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200680","10.602","0.003","7.288","0.001","13.224","0.008","90","","93.8","0.02","90","","1019.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4,6-trimethoxybenzoic acid","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","DN6005","Jean-Claude, Wallet; Elies, Molins; Carlos, Miravitlles","2,4,6-Trimethoxybenzoic acid","Acta Crystallographica Section E","2001","57","11","o1073","o1074","10.1107/S1600536801016610","","","0.71073","MoKα","","0.0647","0.0458","","","","0.1501","","","","","","1.079","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200681","18.297","0.002","7.7645","0.0009","11.928","0.0008","90","","102.681","0.007","90","","1653.2","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Pyridin-2-yl)-3-méthyl-4-(1-pyridin-2-yl-3-méthyl-1H-pyrazol-5-yl) -2H-3-pyrazoline-5(1H)-one","","- C18 H16 N6 O -","- C18 H16 N6 O -","- C72 H64 N24 O4 -","4","1","DN6006","Djerrari, B.; Essassi, E. M.; Fifani, J.; Pierrot, M.","3-Méthyl-1-(pyridin-2-yl)-4-(1-pyridin-2-yl-3-méthyl-1<i>H</i>-pyrazol-5-yl)-2<i>H</i>-3-pyrazolin-5(1<i>H</i>)-one","Acta Crystallographica Section E","2001","57","11","o1126","o1127","10.1107/S1600536801018062","","","0.71073","MoKα","","0.0718","0.0557","","","","0.1268","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200682","10.8658","0.0007","9.4435","0.0005","11.7323","0.0008","90","","112.74","0.006","90","","1110.29","0.12","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-(1RS,2SR)-1,2-Di(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethan","","- C28 H30 O2 -","- C28 H30 O2 -","- C56 H60 O4 -","2","0.5","","Ibrahim, Hasim; Bach, Thorsten; Harms, Klaus","(±)-(1RS,2SR)-1,2-Bis(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethane","Acta Crystallographica Section E","2001","57","12","o1145","o1146","10.1107/S1600536801018384","","","1.54178","CuKα","","0.0643","0.058","","","","0.165","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2200683","11.514","0.0006","11.207","0.0004","11.848","0.0006","90","","109.341","0.002","90","","1442.55","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O4 -","- C31 H48 O4 -","- C62 H96 O8 -","2","1","DN6009","Daoubi, M.; Benharref, A.; Pierrot, M.","3β-Acétoxy nor-31-lanostène-7,11-dione","Acta Crystallographica Section E","2001","57","12","o1187","o1188","10.1107/S1600536801019122","","","0.7107","MoKα","","0.0617","0.0543","","","","0.1437","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200684","12.7109","0.0001","14.1115","0.0002","27.0317","0.0003","90","","90","","90","","4848.67","0.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","mer,trans-{2,6-bis[(dimethylamino)methyl]pyridine}dichloropyridineruthenium(II) toluene solvate","","- C23 H32 Cl2 N4 Ru -","- C23 H32 Cl2 N4 Ru -","- C184 H256 Cl16 N32 Ru8 -","8","1","NA6084","Back, Stephan; Rheinwald, Gerd; del Río, Ignacio; van Koten, Gerard; Lang, Heinrich","[<i>mer,trans</i>-(NN'N)RuCl~2~(NC~5~H~5~)]·C~7~H~8~ {NN'N = 2,6-bis-[(dimethylamino)methyl]pyridine}","Acta Crystallographica Section E","2001","57","10","m444","m445","10.1107/S1600536801014878","","","0.71073","MoKα","","0.069","0.0515","","","","0.1171","","","","","","1.191","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200685","7.652","0.007","8.903","0.006","14.664","0.016","97.38","0.08","95.06","0.07","114.22","0.06","892.5","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(N,N-diethylnicotinamide)bis(2-hydroxybenzoato)zinc(II)","","- C34 H42 N4 O10 Zn -","- C34 H42 N4 O10 Zn -","- C34 H42 N4 O10 Zn -","1","0.5","NA6091","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","Diaquabis(<i>N,N</i>-diethylnicotinamide)bis(2-hydroxybenzoato)zinc(II)","Acta Crystallographica Section E","2001","57","10","m462","m464","10.1107/S1600536801015021","","","0.71073","MoKα","","0.0534","0.0503","","","","0.1284","","","","","","1.116","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200686","7.211","0.003","8.588","0.004","16.515","0.007","96","0.02","100.79","0.02","112.09","0.03","913.6","0.7","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(N,N-diethylnicotinamide)bis(4-nitrobenzoato)zinc(II)","","- C34 H40 N6 O12 Zn -","- C34 H40 N6 O12 Zn -","- C34 H40 N6 O12 Zn -","1","0.5","NA6092","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","Diaquabis(<i>N,N</i>-diethylnicotinamide)bis(4-nitrobenzoato)zinc(II)","Acta Crystallographica Section E","2001","57","10","m465","m466","10.1107/S1600536801015033","","","0.71073","MoKα","","0.0314","0.0258","","","","0.0676","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200687","14.6542","0.0011","14.3344","0.0014","12.722","0.0012","90","","95.606","0.009","90","","2659.6","0.4","293","2","291","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[(4-ethoxyphenyl)aminoacetyl]-4,5-dimethyl-o-phenylenediamine","","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","- C112 H136 N16 O16 -","4","1","NA6093","Kruszynski, Rafal; Bartczak, Tadeusz J.; Mikiciuk-Olasik, Elżbieta","<i>N,N</i>'-Bis[(4-ethoxyphenyl)aminoacetyl]-4,5-dimethyl-<i>o</i>-phenylenediamine","Acta Crystallographica Section E","2001","57","10","o953","o955","10.1107/S1600536801015306","","","1.54052","CuKα","","0.1154","0.0477","","","","0.1748","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200688","13.321","0.003","9.101","0.002","14.279","0.003","90","","112.77","0.03","90","","1596.2","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","r-1,c-2,c-3,t-4,5-pentachloro-6-phenyltetralin","","- C16 H11 Cl5 -","- C16 H11 Cl5 -","- C64 H44 Cl20 -","4","1","NA6094","Bruno, Giuseppe; Panzalorto, Manuela; Nicoló, Francesco; Giannetto, Michele","<i>r</i>-1,<i>c</i>-2,<i>c</i>-3,<i>t</i>-4,5-Pentachloro-6-phenyltetralin","Acta Crystallographica Section E","2001","57","11","o1045","o1046","10.1107/S1600536801016762","","","0.71073","MoKα","","0.0697","0.0468","","0.154","","0.1274","","","1.01","","","1.038","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200689","13.009","0.003","4.688","0.001","17.607","0.004","90","","103.6","0.02","90","","1043.7","0.4","290","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N O4 P -","- C8 H14 N O4 P -","- C32 H56 N4 O16 P4 -","4","1","NA6095","Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl","2,4-Dimethylanilinium dihydrogenphosphate","Acta Crystallographica Section E","2001","57","11","o1058","o1060","10.1107/S1600536801016191","","","0.710688","MoKα","","0.1004","0.0341","","","","0.0406","","","1.75","1.43","1.43","1.75","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200690","13.899","0.007","9.956","0.008","9.051","0.002","90","","108.726","0.008","90","","1186.2","1.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","DL-phenylalaninium dihydrogen phosphate","DL-phenylalaninium dihydrogen phosphate","","- C9 H14 N O6 P -","- C9 H14 N O6 P -","- C36 H56 N4 O24 P4 -","4","2","NA6096","B. Ravikumar; B. Sridhar; R. K. Rajaram","<small>DL</small>-Phenylalaninium dihydrogen phosphate","Acta Crystallographica Section E","2001","57","11","o1078","o1080","10.1107/S1600536801016993","","","0.71073","MoKα","","0.0318","0.0277","","","","0.0744","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200691","9.6907","0.0009","10.3119","0.001","11.2549","0.0011","63.954","0.001","70.282","0.001","87.414","0.002","944.14","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Ni(II)(DMSO)6][2(NO3)][2(DMSO)]","","","- C16 H48 N2 Ni O14 S8 -","- C16 H48 N2 Ni O14 S8 -","- C16 H48 N2 Ni O14 S8 -","1","0.5","NA6097","Blake, Alexander J.; Felloni, Marina; Hubberstey, Peter; Schröder, Martin; Wilson, Claire","Hexakis(dimethyl sulfoxide)nickel(II) dinitrate dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2001","57","12","m556","m557","10.1107/S1600536801016403","","","0.71073","MoKα","","0.0233","0.0211","","","","0.0574","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200692","7.5556","0.0003","8.0446","0.0003","22.9549","0.0008","90","","90","","90","","1395.24","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-2-[5-(1-hydroxy-1-methyl-ethyl)-tetrahydro-furan-2-yl]-1-phenyl- ethanone","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","NA6098","Light, Mark E.; Hursthouse, Michael B.","(2<i>S</i>*)-2-Hydroxy-2-[(2<i>S</i>*,5<i>R</i>*)-5-(1-hydroxy-1-methylethyl)tetrahydrofuran-2-yl]-1-phenylethanone","Acta Crystallographica Section E","2001","57","12","o1194","o1195","10.1107/S1600536801017007","","","0.71073","MoKα","","0.0637","0.054","","","","0.1464","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200693","10.973","0.002","12.764","0.003","20.721","0.004","90","","90","","90","","2902.2","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2S)-1-(4-fluorophenyl)-2-hydroxy-2-[(2S,5R)-5-(1-hydroxy-1-methylethyl)- tetrahydrofuran-2-yl]ethanone","","- C15 H19 F O4 -","- C15 H19 F O4 -","- C120 H152 F8 O32 -","8","2","NA6099","Light, Mark E.; Hursthouse, Michael B.","(2<i>S</i>)-1-(4-Fluorophenyl)-2-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-5-(1-hydroxy-1-methylethyl)-tetrahydrofuran-2-yl]ethanone","Acta Crystallographica Section E","2001","57","12","o1196","o1197","10.1107/S1600536801017019","","","0.71073","MoKα","","0.1187","0.0487","","","","0.1128","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200694","7.59","0.0006","9.6858","0.0008","10.404","0.0009","74.141","0.002","83.65","0.002","78.772","0.002","720.32","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Acetyl-1,2-dihydro-3-hydroxy-3-(benzofuran-3-yl)-2-oxo-(3H)indole","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C36 H26 N2 O8 -","2","1","NA6100","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","1-Acetyl-3-(benzofuran-3-yl)-1,2-dihydro-3-hydroxy-2-oxo-3<i>H</i>-indole","Acta Crystallographica Section E","2001","57","11","o1070","o1072","10.1107/S1600536801016324","","","0.71073","MoKα","","0.1221","0.0724","","","","0.174","","","","","","0.857","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200695","12.3394","0.0001","9.1468","0.0001","15.9725","0.0001","90","","110.335","0.001","90","","1690.4","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[methyl-N^β^-(dipropylaminophenyl-methylene)-dithiocarbazato]nickel(II)","","- C30 H44 N6 Ni S4 -","- C30 H44 N6 Ni S4 -","- C60 H88 N12 Ni2 S8 -","2","0.5","NA6101","Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman; Yin Wen Tang; Wen Ma; Jie Ying Wu; Yu Peng Tian","Bis{methyl <i>N</i>^{β^}-[4-(dipropylamino)benzylidene]dithiocarbazato}nickel(II)","Acta Crystallographica Section E","2001","57","11","m519","m521","10.1107/S1600536801016397","","","0.71073","MoKα","","0.0751","0.0595","","","","0.1437","","","","","","0.952","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200696","8.3806","0.0002","9.5768","0.0003","9.1466","0.0003","90","","99.479","0.0013","90","","724.08","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Ethyl-2-(hydroxymethyl)-1,3-propanediol","","- C6 H14 O3 -","- C6 H14 O3 -","- C24 H56 O12 -","4","1","NA6102","Zakaria, Choudhury M.; Low, John N.; Glidewell, Christopher","2-Ethyl-2-(hydroxymethyl)-1,3-propanediol at 120K: three hydrogen bonds generate a three-dimensional structure","Acta Crystallographica Section E","2001","57","11","o1081","o1083","10.1107/S1600536801017044","","","0.71073","MoKα","","0.0471","0.0355","","","","0.1003","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200697","8.8878","0.0003","10.6008","0.0002","11.2792","0.0003","62.253","0.001","87.872","0.001","82.953","0.001","933.16","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 4-(3,5-dimethoxy-2-methylphenoxy)-2,6-dihydroxy-3-iodo-5-methylbenzoate","","- C18 H19 I O7 -","- C17.999 H19 I0.999 O7 -","- C35.998 H38 I1.998 O14 -","2","1","NA6103","Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Nisakorn Saewon; Chatchanok Karalai; Chanita Ponglimanont; Kan Chantrapromma","Disorder in methyl 4-(3,5-dimethoxy-2-methylphenoxy)-2,6-dihydroxy-3-iodo-5-methylbenzoate","Acta Crystallographica Section E","2001","57","11","o1047","o1049","10.1107/S1600536801016774","","","0.71073","MoKα","","0.1138","0.0881","","","","0.2257","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200698","8.277","0.002","9.723","0.002","16.5","0.002","90","","90","","90","","1327.9","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 S2 -","- C12 H15 N O3 S2 -","- C48 H60 N4 O12 S8 -","4","1","NA6104","Hansen, Lars Kr.; Bayer, Annette; Gautun, Odd R.","<i>exo</i>-3,6-Dihydro-3-methyl-2-(toluene-4-sulfonyl)-1λ^4^,2-thiazine 1-oxide","Acta Crystallographica Section E","2001","57","11","o1109","o1110","10.1107/S1600536801017901","","","0.71069","MoKα","","0.0664","0.0568","","","","0.1621","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200699","13.5783","0.0003","15.2608","0.0003","17.5449","0.0004","90","","90","","90","","3635.58","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N10 Ni O -","- C15 H18 N10 Ni O -","- C120 H144 N80 Ni8 O8 -","8","1","NA6105","De-Zhong Niu; Bai-Wang Sun; Zai-Sheng Lu; Zhe-Ming Wang; Chun-Hua Yan","Diazido{<i>N,N</i>'-bis[2-(2-pyridyl)ethylene]-1,3-diaminopropane}nickel(II) monohydrate","Acta Crystallographica Section E","2001","57","12","m589","m590","10.1107/S1600536801019663","","","0.71073","MoKα","","0.0719","0.0376","","","","0.1003","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200700","12.513","0.004","4.977","0.003","16.388","0.009","90","","103.38","0.06","90","","992.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1H-Benzimidazole-2-methanediol monohydrochloride monohydrate","1H-Benzimidazole-2-methanediol monohydrochloride monohydrate","","- C8 H11 Cl N2 O3 -","- C8 H11 Cl N2 O3 -","- C32 H44 Cl4 N8 O12 -","4","1","NA6106","Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter","2-Dihydroxymethyl-3<i>H</i>-benzoimidazol-1-ium chloride monohydrate","Acta Crystallographica Section E","2001","57","12","o1258","o1260","10.1107/S1600536801020074","","","0.71073","MoKα","","0.049","0.037","","","","0.1","","","","","","1.21","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200701","7.9428","0.0012","8.6647","0.0014","12.1383","0.0018","75.19","0.006","87.432","0.006","65.639","0.006","734","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","Bis(triethanolamine-N,O,O')zinc(II) saccharinate","","- C26 H38 N4 O12 S2 Zn -","- C26 H38 N4 O12 S2 Zn -","- C26 H38 N4 O12 S2 Zn -","1","0.5","NA6107","Topcu, Yildiray; Yilmaz, Veysel T.; Thöne, Carsten","Bis(triethanolamine-<i>N</i>,<i>O</i>,<i>O</i>')zinc(II) disaccharinate","Acta Crystallographica Section E","2001","57","12","m600","m602","10.1107/S1600536801019857","","","0.71073","MoKα","","0.0458","0.0402","","","","0.1128","","","","","","1.064","","","","has coordinates","198632","2020-10-21","18:00:00",""
"2200702","13.782","0.003","14.805","0.003","6.317","0.001","90","","90","","90","","1288.9","0.4","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","2,6-Lutidine","2,6-Dimethylpyridine","","- C7 H9 N -","- C7 H9 N -","- C56 H72 N8 -","8","0.5","NA6108","Bond, Andrew D.; Davies, John E.; Kirby, Anthony J.","2,6-Lutidine","Acta Crystallographica Section E","2001","57","12","o1242","o1244","10.1107/S1600536801019869","","","0.71073","MoKα","","0.0618","0.0567","","","","0.1397","","","","","","1.105","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200703","6.871","0.0006","8.835","0.001","19.042","0.002","90","","90","","90","","1156","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-acetyl-7-methylbenzo[e]indol","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","NA6110","Višnjevac, Aleksandar; Basarić, Nikola; Kojić-Prodić, Biserka; Šindler-Kulyk, Marija","Photochemical formation of 2-acetyl-7-methylbenz[<i>e</i>]indole","Acta Crystallographica Section E","2001","57","12","o1252","o1254","10.1107/S1600536801020153","","","1.5418","CuKα","","0.0856","0.0561","","","","0.1678","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200704","11.094","0.001","11.943","0.001","9.3399","0.0009","110.864","0.005","113.51","0.005","68.358","0.004","1022.57","0.17","193.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","OB6063","Miyake, Yasuhito; Hosoda, Asao; Nomura, Eisaku; Taniguchi, Hisaji","Ethyl 3-(4-geranyloxy-3-methoxyphenyl)-2-propenoate","Acta Crystallographica Section E","2001","57","11","o1096","o1097","10.1107/S1600536801017184","","","1.5418","CuKα","","","0.0591","","","","0.1205","","","","","","1.645","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200705","10.8346","0.0006","6.7519","0.0003","24.363","0.001","90","","101.781","0.002","90","","1744.71","0.14","143.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Ca N O6 -","- C17 H19 Ca N O6 -","- C68 H76 Ca4 N4 O24 -","4","1","OB6064","Yano, Shigenobu; Numata, Momoko; Kato, Masako; Motoo, Shiro; Nishimura, Toshio","<i>catena</i>-Poly[[aqua(benzoato)(<i>N</i>,<i>N</i>'-dimethylformamide)calcium(II)]-μ-benzoato]","Acta Crystallographica Section E","2001","57","10","m488","m490","10.1107/S1600536801014660","","","0.7107","MoKα","","","0.0445","","","","0.0487","","","","","","0.944","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200706","10.156","0.002","19.733","0.001","9.486","0.001","90","","90","","90","","1901.1","0.4","294.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N2 O5 P -","- C19 H23 N2 O5 P -","- C76 H92 N8 O20 P4 -","4","1","OB6066","Kiriko Kurokawa; Nobuko Kanehisa; Masaaki Sawa; Hirosato Kondo; Yasushi Kai","(+)-(3<i>R</i>)-<i>N</i>-Hydroxy-2-[(<i>S</i>)-ethoxy(4-methoxyphenyl)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2001","57","10","o906","o908","10.1107/S1600536801014222","","","1.5418","CuKα","","","0.0406","","","","0.1017","","","","","","1.647","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200707","15.222","0.002","16.848","0.002","15.93","0.002","90","","114.27","0.01","90","","3724.3","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.25 H22 N3 O3.25 -","- C20.25 H22 N3 O3.25 -","- C162 H176 N24 O26 -","8","4","OB6067","Hansen, Lars Kr.; Størmer, Fredrik C.; Petersen, Dirk; Aasen, Arne J.","Cycloechinulin, a Trp-Ala-derived alkaloid from the fungus <i>Aspergillus ochraceus</i>","Acta Crystallographica Section E","2001","57","10","o909","o912","10.1107/S1600536801014234","","","0.71069","MoKα","","0.1767","0.0636","","","","0.2089","","","","","","0.826","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200708","7.949","0.005","11.067","0.005","14.116","0.005","74.22","0.05","86.26","0.05","84.67","0.05","1188.8","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","trans-Dichloro(meso-2,3,7,11,12-pentamethyl-3,7,11,17-tetra- azabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^N^3,7,11,17^)rhodium(III) hexafluorphosphate","","- C18 H32 Cl2 F6 N4 P Rh -","- C18 H32 Cl2 F6 N4 P Rh -","- C36 H64 Cl4 F12 N8 P2 Rh2 -","2","1","OB6068","Blake, Alexander J.; Hyde, Timothy I.; Schröder, Martin","<i>trans</i>-Dichloro(<i>meso</i>-2,3,7,11,12-pentamethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^<i>N</i>^3,7,11,17^)rhodium(III) hexafluorophosphate","Acta Crystallographica Section E","2001","57","10","m459","m461","10.1107/S1600536801014568","","","0.71073","MoKα","","0.0934","0.0649","","","","0.182","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200709","13.509","0.005","10.519","0.003","8.099","0.002","90","","101.54","0.015","90","","1127.6","0.6","293","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-fluorocytosinium salicylate","","","- C11 H10 F N3 O4 -","- C11 H10 F N3 O4 -","- C44 H40 F4 N12 O16 -","4","1","OB6069","Prabakaran, P.; Murugesan, S.; Muthiah, P. Thomas; Bocelli, G.; Righi, L.","Intermolecular N‒H···O hydrogen-bonding interactions in 5-fluorocytosinium salicylate","Acta Crystallographica Section E","2001","57","10","o933","o936","10.1107/S1600536801014465","","","1.54178","CuKα","","0.0465","0.0342","","","","0.1026","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200710","8.4086","0.0004","11.2321","0.0006","18.7217","0.0007","90","","90","","90","","1768.19","0.14","123.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H26 Co I3 N6 O -","- C6 H26 Co I3 N6 O -","- C24 H104 Co4 I12 N24 O4 -","4","1","OB6070","Ryo Matsuki; Shiro, Motoo; Asahi, Toru; Asai, Hiroshi","Absolute configuration of Λ-(+)~589~-tris(ethylenediamine)cobalt(III) triiodide monohydrate","Acta Crystallographica Section E","2001","57","10","m448","m450","10.1107/S1600536801015008","","","0.7107","MoKα","","","0.0229","","","","0.0662","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200711","7.9772","0.0002","13.5738","0.0002","8.2288","0.0002","90","","91.583","0.002","90","","890.68","0.03","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dinitratodioxobis(4-picoline N-oxide)uranium(VI)","","- C12 H14 N4 O10 U -","- C12 H14 N4 O10 U -","- C24 H28 N8 O20 U2 -","2","0.5","OB6071","Rickard, Clifton E. F.","Dinitratodioxobis(4-picoline <i>N</i>-oxide)uranium(VI)","Acta Crystallographica Section E","2001","57","10","m446","m447","10.1107/S1600536801014805","","","0.71073","MoKα","","0.0267","0.0224","","","","0.0524","","","","","","1.236","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200712","14.914","0.005","13.56","0.006","8.994","0.004","90","","122.75","0.02","90","","1529.8","1.1","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-dichlorobis(1,4-butanediamine)cobalt(III) chloride monohydrate","","- C8 H26 Cl3 Co N4 O -","- C8 H26 Cl3 Co N4 O -","- C32 H104 Cl12 Co4 N16 O4 -","4","1","OB6072","Fujimoto, Kazuya; Nagata, Kiyonori; Suzuki, Honoh; Kanamori, Kan","<i>trans</i>-Bis(1,4-butanediamine)dichlorocobalt(III) chloride monohydrate","Acta Crystallographica Section E","2001","57","10","m467","m469","10.1107/S1600536801015227","","","0.71073","MoKα","","0.0372","0.0331","","","","0.0824","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200713","9.739","0.002","13.647","0.004","14.5479","0.0019","90","","107.79","0.013","90","","1841.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-bis(isothiocyanato)bis(1,4-butanediamine)cobalt(III) thiocyanate","","- C11 H24 Co N7 S3 -","- C11 H24 Co N7 S3 -","- C44 H96 Co4 N28 S12 -","4","1","OB6073","Fujimoto, Kazuya; Nagata, Kiyonori; Suzuki, Honoh; Kanamori, Kan","<i>trans</i>-Bis(1,4-butanediamine)bis(isothiocyanato)cobalt(III) thiocyanate","Acta Crystallographica Section E","2001","57","10","m470","m471","10.1107/S1600536801015239","","","0.71073","MoKα","","0.0587","0.0333","","","","0.0939","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200714","7.065","0.001","15.148","0.003","11.113","0.002","90","","98.09","0.01","90","","1177.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 Ni O12 -","- C20 H26 N2 Ni O12 -","- C40 H52 N4 Ni2 O24 -","2","0.5","OB6074","Liao, Ju-Hsiou; Su, Ching-Ting; Hsu, Che-Chih","<i>catena</i>-Poly[[[diaquabis[<i>cis</i>-2-methyl-but-2-enedioate(1‒)-<i>O</i>]nickel(II)]-μ-4,4'-bipyridine-<i>N</i>:<i>N</i>'] dihydrate]","Acta Crystallographica Section E","2001","57","11","m501","m503","10.1107/S1600536801015835","","","0.71073","MoKα","","0.0461","0.0292","","0.0637","","0.0583","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200715","8.411","0.002","8.819","0.002","14.886","0.004","84.684","0.006","82.425","0.006","68.439","0.006","1016.8","0.4","91","2","91","2","","","","","","","","4","P -1","-P 1","2","Nitrilotrisacetanilide","Nitrilotriacetanilide","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C48 H48 N8 O6 -","2","1","OB6075","John M. Rowland; Gerardo J. Ibanez; Marilyn M. Olmstead; Michael Ruf; Pradip K. Mascharak","Nitrilotriacetanilide","Acta Crystallographica Section E","2001","57","11","o1001","o1003","10.1107/S1600536801015781","","","0.71073","MoKα","","0.087","0.067","","","","0.239","","","","","","1.234","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200716","19.791","0.001","5.322","0.0003","10.974","0.001","90","","113.923","0.006","90","","1056.57","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(β-Alanine) H+ nitrate","β-Alanine β-alaninium nitrate","","- C6 H15 N3 O7 -","- C6 H15 N3 O7 -","- C24 H60 N12 O28 -","4","0.5","OB6076","B. Sridhar; N. Srinivasan; R. K. Rajaram","Bis(β-alanine) hydrogen nitrate","Acta Crystallographica Section E","2001","57","11","o1004","o1006","10.1107/S1600536801015793","","","0.71073","MoKα","","0.04","0.0334","","","","0.0916","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200717","7.569","0.002","9.397","0.002","12.31","0.003","90","","92.62","0.02","90","","874.6","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","ludongnin B","spiro[isobenzofuran-4 (1H),4'(3'H)-[1H-7,9a] methanocyclohepta[c]pyran]-1',3,9'(3aH,4'aH)-trione, octahydro-7a,8'-dimethyl","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","OB6077","Shi, Hao; Pan, Yuan Jiang; Zhang, Xue Qin; Yu, Kai Bei","Octahydro-7a,8'-dimethylspiro[isobenzofuran-4(1<i>H</i>),4'(3'<i>H</i>)-[1<i>H</i>-7,9a]methanocyclohepta[<i>c</i>]pyran]-1',3,9'(3a<i>H</i>,4'a<i>H</i>)-trione","Acta Crystallographica Section E","2001","57","11","o1007","o1009","10.1107/S1600536801015847","","","0.71073","MoKα","","0.1146","0.0529","","","","0.1283","","","","","","0.872","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200718","26.198","0.005","26.198","0.005","11.024","0.007","90","","90","","120","","6552","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","(R/S)-3-(3-Methyl-2-butylamino)-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide hydrate","","- C11 H18 N4 O3 S -","- C11 H18 N4 O3 S -","- C198 H324 N72 O54 S18 -","18","1","OB6078","Dupont, Léon; De Tullio, Pascal; Tinant, Bernard; Pirotte, Bernard","(<i>R</i>/<i>S</i>)-3-(3-Methyl-2-butylamino)-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide monohydrate","Acta Crystallographica Section E","2001","57","11","o1050","o1051","10.1107/S1600536801016622","","","1.5418","CuKα","","0.1055","0.0774","","","","0.2508","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200719","10.063","0.002","19.007","0.004","20.344","0.004","71.469","0.014","83.522","0.016","84.235","0.016","3657.2","1.3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H40 B9 P -","- C40 H39 B9 P -","- C160 H156 B36 P4 -","4","2","OB6079","Rosair, Georgina M.; Schmidt, Falk H.; Welch, Alan J.","Tetraphenylphosphonium 7-phenylethynyl-8-phenyl-7,8-<i>nido</i>-dicarbadecahydroundecaborate(1‒)","Acta Crystallographica Section E","2001","57","12","o1168","o1170","10.1107/S160053680101902X","","","0.71073","MoKα","","0.2342","0.0867","","","","0.1809","","","","","","0.972","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200720","7.366","0.002","9","0.002","21.456","0.002","90","","93.73","0.02","90","","1419.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","8-Hydroxyquinoline-5-sulfonic acid nickel(II)","[Tetraaqua(quinolinolato-N,O]-5-sulfonic nickel(II)]monohydrate","","- C9 H15 N Ni O9 S -","- C9 H15 N Ni O9 S -","- C36 H60 N4 Ni4 O36 S4 -","4","1","OB6080","Baskar Raj, Savarimuthu; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Righi, Lara","Tetraaqua(8-hydroxyquinoline-5-sulfonato-<i>N,O</i>)nickel(II) monohydrate","Acta Crystallographica Section E","2001","57","12","m591","m594","10.1107/S1600536801017792","","","0.71069","MoKa","","0.0267","0.0228","","","","0.0624","","","","","","1.024","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200721","7.23","0.006","63.045","0.005","5.041","0.004","90","","90","","90","","2298","3","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H48 O2 -","- C23 H48 O2 -","- C92 H192 O8 -","4","1","OB6081","Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro","Tricosane-1,23-diol","Acta Crystallographica Section E","2001","57","11","o1091","o1093","10.1107/S1600536801017457","","","1.5418","CuKα","","","0.044","","","","0.192","","","","","","1.413","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200722","7.521","0.0006","7.521","0.0006","25.2821","0.0013","90","","90","","120","","1238.5","0.15","297","","297","","","","","","","","","3","P 31","P 31","144","futoenone","(2R,4R,5S,5aR)-rel-(-)-4-(1,3-benzodioxol-5-yl)-2,3,4,5- tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-benzoepin-8-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C60 H60 O15 -","3","1","OB6082","Song, Qi; Billodeaux, Damon R.; Fronczek, Frank R.; Fischer, Nikolaus H.","Futoenone, a neolignan from <i>Magnolia soulangiana</i>","Acta Crystallographica Section E","2001","57","11","o1094","o1095","10.1107/S1600536801017482","","","1.5418","CuKα","","0.033","0.033","","","","0.085","","","","","","1.102","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200723","11.7436","0.0017","11.7436","0.0017","30.932","0.008","90","","90","","120","","3694.4","1.2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H23.1 Cl4 N6 O2.55 Ru Zn -","- C12 H23.1 Cl4 N6 O2.55 Ru Zn -","- C72 H138.6 Cl24 N36 O15.3 Ru6 Zn6 -","6","0.333333","OB6083","Anzellotti, Atilio; Briceño, Alexander","Hexakis(acetonitrile)ruthenium(II) tetrachlorozincate 2.55-hydrate","Acta Crystallographica Section E","2001","57","11","m538","m540","10.1107/S1600536801017469","","","0.71069","MoKα","","0.0893","0.0583","","","","0.1567","","","","","","1.021","","","","has coordinates","194389","2020-10-21","18:00:00",""
"2200724","9.3436","0.0008","13.4554","0.0012","14.2888","0.0012","90","","94.748","0.002","90","","1790.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5,8,19-Tetraaza-2,9,18-trione-[5^5,13^][11]metacyclophane monohydrate","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","1","OB6084","Kim, Tae Ho; Yang, Sun Young; Lee, Shim Sung; Kim, Jae Sang; Kim, Jineun","2,9,18-Trioxo-3,5,8,19-tetraaza-[5^5,13^][11]metaphane monohydrate","Acta Crystallographica Section E","2001","57","12","o1200","o1202","10.1107/S1600536801019183","","","0.71073","MoKα","","0.0786","0.0434","","","","0.1164","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200725","8.236","0.0007","9.5392","0.0007","11.9512","0.001","98.499","0.001","94.67","0.001","106.104","0.001","884.76","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Quinolinium trichloroquinoline-zinc(II)","","- C18 H15 Cl3 N2 Zn -","- C18 H15 Cl3 N2 Zn -","- C36 H30 Cl6 N4 Zn2 -","2","1","OB6086","Wang, Wenguo; Zhang, Xiaofeng; Huang, Deguang; Zhu, Hongping; Chen, Changneng; Liu, Qiutian","Quinolinium trichloro(quinoline)zinc(II)","Acta Crystallographica Section E","2001","57","12","m561","m563","10.1107/S1600536801018414","","","0.71073","MoKα","","0.0708","0.0453","","","","0.1467","","","","","","0.913","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2200726","7.874","0.002","12.624","0.003","7.117","0.003","105.87","0.04","92.67","0.03","87.93","0.03","679.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Cytosine Cadmium Dibromide","Bis-(4-amino-2(1H)-pyridinone)dibromocadmium(II)","","- C8 H10 Br2 Cd N6 O2 -","- C8 H10 Br2 Cd N6 O2 -","- C16 H20 Br4 Cd2 N12 O4 -","2","1","OB6087","Thomas Muthiah, Packianathan; Justin Robert, Jebamony; Baskar Raj, Savarimuthu; Bocelli, Gabriele; Rita Ollá","Metal‒nucleobase interaction: dibromobis(cytosine)cadmium(II)","Acta Crystallographica Section E","2001","57","12","m558","m560","10.1107/S1600536801018360","","","0.71075","MoKα","","0.061","0.061","","0.158","","0.158","","","","","","0.958","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200727","15.6757","0.0012","10.4805","0.0008","7.5277","0.0006","90","","90","","90","","1236.72","0.17","83","2","83","2","","","","","","","","2","P b c n","-P 2n 2ab","60","styrene","styrene","","- C8 H8 -","- C8 H8 -","- C64 H64 -","8","1","OB6089","Nobuhiro Yasuda; Hidehiro Uekusa; Yuji Ohashi","Styrene at 83K","Acta Crystallographica Section E","2001","57","12","o1189","o1190","10.1107/S1600536801019237","","","0.71069","MoKα","","0.0433","0.0388","","","","0.0986","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200728","11.7627","0.0002","9.622","0.0002","18.7387","0.0003","90","","103.034","0.001","90","","2066.22","0.07","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Erythro-2-(2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1,3-propandiol","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","OB6090","Langer, Vratislav; Lundquist, Knut","<i>erythro</i>-2-(2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1,3-propanediol","Acta Crystallographica Section E","2001","57","12","o1219","o1221","10.1107/S1600536801019390","","","0.71073","MoKα","","0.0617","0.0443","","","","0.1245","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200729","10.509","0.006","10.763","0.005","13.146","0.007","90","","107.26","0.04","90","","1420","1.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl-N-{4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]phenyl}amine","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","OB6093","Oleg Ya. Borbulevych; Mikhail Yu. Antipin","Redetermination of <i>N,N</i>-dimethyl-<i>N</i>-{4-[(<i>E</i>)-(4-methyl-3-nitrophenyl)diazenyl]phenyl}amine at 193 K: another example of dynamic disorder of substituted azobenzene compounds","Acta Crystallographica Section E","2001","57","12","o1250","o1251","10.1107/S1600536801020128","","","0.71073","MoKα","","0.1329","0.055","","","","0.1544","","","","","","0.867","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200730","15.284","0.0004","13.9364","0.0004","6.0585","0.0002","90","","90","","90","","1290.48","0.07","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H9 As O S3 -","- C12 H9 As O S3 -","- C48 H36 As4 O4 S12 -","4","0.5","OB6094","Mahalakshmi, H.; Jain, Vimal K.; Tiekink, Edward R. T.","Tri(2-thienyl)arsine oxide","Acta Crystallographica Section E","2001","57","12","o1222","o1223","10.1107/S160053680101978X","","","0.71069","MoKα","","0.036","0.035","","","","0.089","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200731","10.1697","0.0005","11.7231","0.0006","12.3281","0.0006","71.71","0.001","77.917","0.001","65.803","0.001","1267.36","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H43 Au N P S2 -","- C23 H43 Au N P S2 -","- C46 H86 Au2 N2 P2 S4 -","2","1","OB6095","Ho, Soo Yei; Tiekink, Edward R. T.","(<i>N,N</i>-Diethyldithiocarbamato)(tricyclohexylphosphine)gold(I)","Acta Crystallographica Section E","2001","57","12","m603","m604","10.1107/S1600536801019833","","","0.71069","MoKα","","0.044","0.042","","","","0.115","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200732","8.404","0.002","7.672","0.002","17.592","0.003","90","","102.62","0.019","90","","1106.8","0.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C44 H60 N12 O8 -","4","1","OB6096","Hökelek, Tuncer; Zülfikaroğlu, Ayşin; Batı, Hümeyra","1-(2,6-Dimethylphenylamino)propane-1,2-dione dioxime","Acta Crystallographica Section E","2001","57","12","o1247","o1249","10.1107/S1600536801020104","","","0.71073","MoKα","","0.0734","0.056","","","","0.1891","","","","","","1.133","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200733","14.609","0.002","8.4266","0.0012","6.9097","0.0008","90","","90","","90","","850.61","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H6 N4 O7 -","- C5 H6 N4 O7 -","- C20 H24 N16 O28 -","4","1","OM6044","Gilardi, Richard D.; Butcher, Ray J.","2,5-Dinitro-7,9-dioxa-2,5-diazabicyclo[4.3.0]nonan-8-one","Acta Crystallographica Section E","2001","57","10","o913","o915","10.1107/S1600536801014131","","","0.71073","MoKα","","0.0672","0.0455","","","","0.1111","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200734","5.5459","0.0002","10.3058","0.0003","6.8702","0.0003","90","","100.131","0.002","90","","386.54","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-nitroethenamine","(Z)-2-nitroethenamine","","- C2 H4 N2 O2 -","- C2 H4 N2 O2 -","- C8 H16 N8 O8 -","4","1","OM6046","Evans, Robin N.; Gilardi, Richard","(<i>Z</i>)-2-Nitroethenamine","Acta Crystallographica Section E","2001","57","10","o956","o958","10.1107/S1600536801015124","","","1.54178","CuKα","","0.0457","0.0441","","","","0.1192","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200735","3.982","0.002","3.982","0.002","6.445","0.003","90","","90","","120","","88.49","0.08","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Fe0.05 Mn0.95 S -","- Fe0.05 Mn0.95 S -","- Fe0.1 Mn1.9 S2 -","2","0.166667","","Eriksson, Lars; Kalinowski, Mariusz P.","Mn~1-x~ Fe~x~ S, x ≃0.05, an example of the anti-wurtzite structure","Acta Crystallographica, Section E","2001","57","","i92","i93","10.1107/S1600536801016051","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2200736","16.1497","0.0014","8.6805","0.0007","35.047","0.003","90","","90","","90","","4913.2","0.7","203","2","203","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(acenaphtylenide)2Ca.2THF","rac-[bis(3,3'-biacenaphthylenido)]bis(tetrahydrofuran-O)calcium","","- C32 H32 Ca O2 -","- C32 H32 Ca O2 -","- C256 H256 Ca8 O16 -","8","2","OM6048","Sinnema, Piet-Jan; Twamley, Brendan; Shapiro, Pamela J.","ansa-Calcocenes: <i>rac</i>-[bis(3,3'-biacenaphthylenido)]bis(tetrahydrofuran)calcium","Acta Crystallographica Section E","2001","57","10","m438","m440","10.1107/S1600536801014751","","","0.71073","MoKα","","0.091","0.054","","","","0.128","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200737","16.903","0.003","10.182","0.002","17.971","0.003","90","","104.9","0.01","90","","2988.9","0.9","293","2","20","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1,1,3,3,3-Hexafluoro-2-(4-nitrophenyl)-N-phenylisopropylamine","","- C15 H10 F6 N2 O2 -","- C15 H10 F6 N2 O2 -","- C120 H80 F48 N16 O16 -","8","1","OM6049","Pavkovic, Stephen F.; Nelson, Derek W.; Owens, James R.","1,1,1,3,3,3-Hexafluoro-2-(4-nitrophenyl)-<i>N</i>-phenylisopropylamine","Acta Crystallographica Section E","2001","57","10","o941","o942","10.1107/S1600536801014763","","","0.7107","MoKα","","0.1632","0.0586","","","","0.1734","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200738","6.9184","0.0003","8.8703","0.0003","18.7337","0.0009","90","","95.444","0.003","90","","1144.47","0.08","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 B2 N2 O2 -","- C26 H28 B2 N2 O2 -","- C52 H56 B4 N4 O4 -","2","0.5","OM6050","Wolfgang Kliegel; Lutz Preu; Ulf Riebe; Brian O. Patrick; Steven J. Rettig; James Trotter","A BONBON 6-membered ring heterocycle","Acta Crystallographica Section E","2001","57","10","o943","o944","10.1107/S1600536801014866","","","0.7107","MoKα","","0.059","0.037","","0.118","","0.058","","","1.91","","","1.91","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200739","6.914","0.001","6.299","0.001","24.933","0.004","90","","90.719","0.015","90","","1085.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaaquanickel(II) bis(p-tolylsulfonate)","","- C14 H26 Ni O12 S2 -","- C14 H26 Ni O12 S2 -","- C28 H52 Ni2 O24 S4 -","2","0.5","OM6052","Batsanov, Andrei S.; Howard, Judith A. K.; Moore, Nichola S.; Kilner, Melvyn","Hexaaquanickel(II) bis(<i>p</i>-tolylsulfonate)","Acta Crystallographica Section E","2001","57","10","m485","m487","10.1107/S160053680101529X","","","0.71073","MoKα","","0.0761","0.0501","","","","0.1005","","","","","","1.191","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200740","7.7561","0.0001","10.8931","0.0002","34.012","0.0006","90","","90","","90","","2873.6","0.08","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Propenyl 4-ferrocenyl-4-oxobutanoate","","- C17 H18 Fe O3 -","- C17 H18 Fe O3 -","- C136 H144 Fe8 O24 -","8","1","OM6053","Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.","2-Propenyl 4-ferrocenyl-4-oxobutanoate","Acta Crystallographica Section E","2001","57","10","m426","m427","10.1107/S1600536801014659","","","0.71073","MoKα","","0.073","0.039","","","","0.091","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200741","11.6372","0.0003","10.4879","0.0005","9.9749","0.0004","90","","100.657","0.003","90","","1196.44","0.08","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Cyclohex-1-enylvinyl)-[1,3,6,2]dioxazaborocane","","- C12 H20 B N O2 -","- C12 H20 B N O2 -","- C48 H80 B4 N4 O8 -","4","1","OM6054","Thadani, Avinash N.; Batey, Robert A.; Lough, Alan J.","2-(2-Cyclohex-1-enylvinyl)[1,3,6,2]dioxazaborocane","Acta Crystallographica Section E","2001","57","11","o1010","o1011","10.1107/S1600536801015136","","","0.71073","MoKα","","0.0566","0.04","","","","0.1022","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200742","11.756","0.0018","12.772","0.002","12.8527","0.0018","90","","91.82","0.012","90","","1928.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3-(2'-Bromophenyl)-4-(tri-iso-propylsilyl)-sydnone","3-(2-Bromophenyl)-4-(triisopropylsilyl)sydnone","","- C17 H25 Br N2 O2 Si -","- C17 H25 Br N2 O2 Si -","- C68 H100 Br4 N8 O8 Si4 -","4","1","OM6056","Grossie, David A.; Turnbull, Kenneth; Krein, Douglas M.","3-(2-Bromophenyl)-4-(triisopropylsilyl)sydnone","Acta Crystallographica Section E","2001","57","10","o985","o987","10.1107/S160053680101563X","","","0.71069","MoKα","","0.1481","0.0422","","","","0.12","","","","","","0.755","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200743","12.113","0.003","12.853","0.0016","13.0084","0.0014","85.113","0.011","69.29","0.012","66.945","0.013","1739.7","0.6","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(triphenylphosphine)-bis(μ-tricyanomethanido)dicopper(I)","","- C80 H60 Cu2 N6 P4 -","- C80 H60 Cu2 N6 P4 -","- C80 H60 Cu2 N6 P4 -","1","0.5","OM6057","Karl E. Bessler; Leandro A. de P. Calzavara; Victor M. Deflon; Elke Niquet","Bis(μ-tricyanomethanido)tetrakis(triphenylphosphine)dicopper(I)","Acta Crystallographica Section E","2001","57","11","m522","m523","10.1107/S1600536801016373","","","1.54184","CuKα","","0.0531","0.0521","","","","0.1523","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200744","9.1739","0.0003","22.1696","0.0007","9.4404","0.0003","90","","104.592","0.001","90","","1858.07","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(phenylamino)ethanoximato]copper(II)}","","- C40 H36 Cl4 Cu2 N4 O2 -","- C40 H36 Cl4 Cu2 N4 O2 -","- C80 H72 Cl8 Cu4 N8 O4 -","2","0.5","OM6058","Puschmann, Horst; Batsanov, Andrei S.; Howard, Judith A.K.; Soto, Bernardino; Bonne, Raul; Au-Alvarez, Oscar","Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(phenylamino)ethanoximato]copper(II)}","Acta Crystallographica Section E","2001","57","11","m524","m526","10.1107/S1600536801016890","","","0.71073","MoKα","","0.0318","0.0266","","","","0.0625","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200745","7.0429","0.0005","7.0429","0.0005","10.0166","0.0007","90","","90","","120","","430.28","0.05","293","2","293","2","","","","","","","Synthetic","3","P 31 2 1","P 31 2""","152","Schuetteite","Trimercury(II) dioxide sulfate(VI)","Schuetteite","- Hg3 O6 S -","- Hg3 O6 S -","- Hg9 O18 S3 -","3","0.5","OM6059","Weil, Matthias","Schuetteite, Hg~3~(SO~4~)O~2~, a re-investigation","Acta Crystallographica Section E","2001","57","11","i98","i100","10.1107/S1600536801017561","","","0.71073","MoKα","","0.0237","0.0212","","","","0.0512","","","","","","1.039","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2200746","13.575","0.0008","7.957","0.0004","11.0684","0.0006","90","","93.436","0.001","90","","1193.42","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N6 O8 -","- C7 H10 N6 O8 -","- C28 H40 N24 O32 -","4","1","OM6062","Gilardi, Richard D.; Axenrod, Theodore; Sun, Jianguang; Flippen-Anderson, Judith L.","1,3,5,7-tetranitro-3,7-diazabicyclo[3.3.1]nonane","Acta Crystallographica Section E","2001","57","11","o1107","o1108","10.1107/S1600536801017780","","","0.71073","MoKα","","0.069","0.0563","","","","0.1472","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200747","11.9782","0.0002","9.9382","0.0001","30.5174","0.0004","90","","100.812","0.001","90","","3568.35","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 N4 O4 -","- C15 H28 N4 O4 -","- C120 H224 N32 O32 -","8","2","OM6063","Flippen-Anderson, Judith L.; Axenrod, Theodore; Sun, Jianguang; Gilardi, Richard D.","3,7-Di-<i>tert</i>-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane","Acta Crystallographica Section E","2001","57","11","o1128","o1129","10.1107/S1600536801018153","","","1.54178","CuKα","","0.072","0.064","","","","0.195","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200748","7.3586","0.0007","11.9176","0.0011","12.4369","0.0013","90","","90","","90","","1090.68","0.18","213","2","213","2","","","","","","","","5","C c c m","-C 2 2c","66","","cobaltocenium tetrafluoroborate","","- C10 H10 B Co F4 -","- C10 H10 B Co F4 -","- C40 H40 B4 Co4 F16 -","4","0.25","OM6064","Cotton, F. Albert; Daniels, Lee M.; Wilkinson, Chad C.","A highly disordered cobaltocenium salt","Acta Crystallographica Section E","2001","57","11","m529","m530","10.1107/S1600536801017172","","","0.71073","MoKα","","0.0395","0.0284","","","","0.084","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200749","17.8678","0.0017","6.7905","0.0018","16.382","0.002","90","","120.114","0.01","90","","1719.4","0.6","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","Denudatin A","(2S,3R,3aR)-2-(1,3-benzodioxol-5-yl)-3,3a-dihydro-3a-methoxy-3- methyl-5-(2-propenyl)-6(2H)-benzofuranone","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","OM6065","Song, Qi; Fronczek, Frank R.; Fischer, Nikolaus H.","Denudatin <i>A</i>, a neolignan from <i>Magnolia soulangiana</i>","Acta Crystallographica Section E","2001","57","11","o1105","o1106","10.1107/S1600536801017779","","","0.71073","MoKα","","0.108","0.061","","","","0.166","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200750","26.8737","0.001","14.6191","0.0006","10.1557","0.0004","90","","110.323","0.001","90","","3741.5","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H31 I N2 O -","- C15 H31 I N2 O -","- C120 H248 I8 N16 O8 -","8","1","OM6066","Flippen-Anderson, Judith L.; Axenrod, Theodore; Qi, Lida; Gilardi, Richard D.","1,5-Di-<i>tert</i>-butyl-3-hydroxy-7-methylene-1-azonia-5-azacyclooctane iodide","Acta Crystallographica Section E","2001","57","12","o1147","o1148","10.1107/S1600536801018190","","","0.71073","MoKα","","0.059","0.044","","","","0.117","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200751","24.2121","0.0016","5.3063","0.0004","19.7644","0.0012","90","","118.023","0.001","90","","2241.6","0.3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N2 O4 -","- C10 H18 N2 O4 -","- C80 H144 N16 O32 -","8","1","OM6067","Gilardi, Richard D.; Axenrod, Theodore; Sun, Jianguang; Flippen-Anderson, Judith L.","5,5-Dihydroxy-1,3-dipropionyl-1,3-diazacyclohexane","Acta Crystallographica Section E","2001","57","12","o1183","o1184","10.1107/S1600536801019006","","","0.71073","MoKα","","0.0884","0.0656","","","","0.1346","","","","","","1.237","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200752","17.956","0.0002","9.7885","0.0001","18.2898","0.0001","90","","108.507","0.001","90","","3048.41","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O8 -","- C12 H18 N4 O8 -","- C96 H144 N32 O64 -","8","2","OM6068","Gilardi, Richard D.; Axenrod, Theodore; Guan, Xiao-Pei; Flippen-Anderson, Judith L.","1,5-Diacetyl-7,7-dinitro-1,5-diazacyclooctan-3-one ethylene acetal","Acta Crystallographica Section E","2001","57","12","o1185","o1186","10.1107/S1600536801019018","","","1.54178","CuKα","","0.0445","0.0404","","","","0.1134","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200753","20.642","0.0006","11.5573","0.0004","17.7307","0.0005","90","","104.666","0.001","90","","4092.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(4-chlorophenylamino)ethanoximato]- copper(II)}","","- C40 H34 Cl6 Cu2 N4 O2 -","- C40 H34 Cl6 Cu2 N4 O2 -","- C160 H136 Cl24 Cu8 N16 O8 -","4","0.5","OM6069","Puschmann, Horst; Batsanov, Andrei S.; Howard, Judith A. K.; Soto, Bernardino; Bonne, Raul; Au-Alvarez, Oscar","Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(4-chlorophenylamino)ethanoximato]copper(II)}","Acta Crystallographica Section E","2001","57","11","m551","m552","10.1107/S1600536801018050","","","0.71073","MoKα","","0.0254","0.023","","","","0.0634","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200754","14.8811","0.0005","12.9287","0.0004","21.7718","0.0006","90","","101.569","0.001","90","","4103.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Cl4 Cu2 N4 O2 -","- C42 H40 Cl4 Cu2 N4 O2 -","- C168 H160 Cl16 Cu8 N16 O8 -","4","1","OM6070","Puschmann, Horst; Howard, Judith A. K.; Soto, Bernardino; Bonne, Raul; Au-Alvarez, Oscar","Di-μ-chloro-bis{chloro[2-(4-methylphenylamino)-1,2-diphenylethanoximato]copper(II)}","Acta Crystallographica Section E","2001","57","12","m581","m583","10.1107/S1600536801019092","","","0.71073","MoKα","","0.0854","0.0416","","","","0.0981","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200755","14.2861","0.0004","11.8522","0.0004","17.2215","0.0006","90","","90","","90","","2915.97","0.16","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H26 Mo2 N8 O7 -","- C26 H26 Mo2 N8 O7 -","- C104 H104 Mo8 N32 O28 -","4","0.5","TK6034","Guo, ShengLi; Wagner, Matthias; Bolte, Michael","Bis(μ-1-acetimido-4-phenylpyrazolone-<i>N</i>^2^:<i>O</i>)-μ-oxo-tetraoxodimolybdenum(VI) as its diacetonitrile adduct: a novel dinuclear molybdenum complex bridged by a 1-acetimido-4-phenylpyrazolone ligand","Acta Crystallographica Section E","2001","57","10","m428","m430","10.1107/S1600536801014428","","","0.71073","MoKα","","0.037","0.032","","","","0.088","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200756","9.431","0.002","10.307","0.002","8.291","0.001","110.29","0.01","113.75","0.01","67.1","0.02","662","0.2","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","2","TK6035","Okabe, Nobuo; Kyoyama, Hasuyo","2,3-Dihydroxybenzoic acid","Acta Crystallographica Section E","2001","57","12","o1224","o1226","10.1107/S1600536801018682","","","0.7107","MoKα","","","0.044","","","","0.175","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200757","14.0385","0.0002","19.1269","0.0002","13.8322","0.0001","90","","90.728","0.001","90","","3713.83","0.07","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 Mo N O3 P2 -","- C44 H35 Mo N O3 P2 -","- C176 H140 Mo4 N4 O12 P8 -","4","1","TK6037","Evans, Cameron; Nicholson, Brian K.; Oliver, Allen G.","Bis(triphenylphosphine)iminium tricarbonylcyclopentadienylmolybdate","Acta Crystallographica Section E","2001","57","11","m504","m505","10.1107/S1600536801016178","","","0.71073","MoKα","","0.052","0.037","","","","0.09","","","","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200758","7.868","0.004","8.489","0.004","12.281","0.006","104.38","0.01","92.3","0.01","110.07","0.01","739.2","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 6-nitro-2-phenylaminoimidazo[1,2-a]pyridine-3-carboxylate","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","1","TK6038","David W Jeffery; Rolf H Prager; Max R Taylor","Ethyl 6-nitro-2-phenylaminoimidazo[1,2-<i>a</i>]pyridine-3-carboxylate","Acta Crystallographica Section E","2001","57","10","o980","o982","10.1107/S1600536801015574","","","0.71073","MoKα","","0.086","0.052","","0.095","","0.088","","","1.01","","","1.11","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200759","16.825","0.001","13.55","0.001","8.173","0.001","90","","95.02","0.01","90","","1856.1","0.3","123","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","TK6039","Fallon, Gary D.; Ventrice, Tina; Jackson, W. Roy; Campi, Eva M.; Patti, Antonio F.","12-Benzoyl-2,3,5,6,9,10,11,12-octahydro-8<i>H</i>-1,4,7,12-benzotrioxaazacyclotetradecine","Acta Crystallographica Section E","2001","57","10","o983","o984","10.1107/S1600536801015586","","","0.71073","MoKα","","","0.05","","","","0.114","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200760","14.461","0.003","15.863","0.003","19.166","0.003","90","","108.98","0.02","90","","4157.5","1.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenic acid‒acridine(1/1)","Diphenic acid‒acridine (1/1)","","- C54 H38 N2 O8 -","- C54 H38 N2 O8 -","- C216 H152 N8 O32 -","4","1","TK6040","Shaameri, Zurina; Shan, Ning; Jones, William","Diphenic acid‒acridine (1/1)","Acta Crystallographica Section E","2001","57","11","o1075","o1077","10.1107/S160053680101618X","","","0.71073","MoKα","","0.198","0.064","","","","0.211","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200761","7.2233","0.0019","10.354","0.003","18.825","0.002","90","","91.334","0.019","90","","1407.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","alloevodionol methyl ether","1-(5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-ethanone","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","TK6041","Graham Smith; Ertong Wang; John P. Bartley; Raymond C. Bott","Alloevodionol methyl ether","Acta Crystallographica Section E","2001","57","11","o1111","o1112","10.1107/S160053680101786X","","","0.71069","MoKα","","0.1645","0.063","","","","0.2243","","","","","","1.389","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200762","11.166","0.001","11.409","0.001","11.724","0.001","107.63","0.01","110.44","0.01","96.68","0.01","1291.9","0.3","123","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H50 N4 O2 Sn -","- C68 H50 N4 O2 Sn -","- C68 H50 N4 O2 Sn -","1","0.5","TK6042","Fallon, Gary D.; Lee, Marcia A.-P.; Langford, Steven J.","Bis(2-naphthoxy)[5,10,15,20-tetra-<i>p</i>-tolylporphyrinato]tin(IV)","Acta Crystallographica Section E","2001","57","12","m564","m565","10.1107/S1600536801017214","","","0.71073","MoKα","","","0.027","","","","0.067","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200763","14.9106","0.001","8.9361","0.0006","30.252","0.002","90","","102.074","0.009","90","","3941.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B4 F4 Mo O2 -","- C18 H24 B4 F4 Mo O2 -","- C144 H192 B32 F32 Mo8 O16 -","8","2","WN6036","Anderson, Kirsty M.; Kündig, E. Peter; Norman, Nicholas C.; Orpen, A. Guy; Pardoe, Jennifer A.J.; Smith, David W.; Timms, Peter L.","Dicarbonylbis(1,4-difluoro-2,3,5,6-tetramethyl-1,4-diboracyclohexa-2,5-diene)molybdenum","Acta Crystallographica Section E","2001","57","10","m419","m420","10.1107/S1600536801014167","","","0.71073","MoKα","","0.0318","0.0231","","","","0.0526","","","","","","0.977","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200764","9.432","0.002","20.957","0.005","14.728","0.003","90","","98.899","0.009","90","","2876.2","1.1","173","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(2,4-pentadionato)(1,10-phenanthroline)samarium(III)","","- C27 H29 N2 O6 Sm -","- C27 H29 N2 O6 Sm -","- C108 H116 N8 O24 Sm4 -","4","1","WN6044","Urs, Usha K.; Shalini, K.; Cameron, T. S.; Shivashankar, S. A.; Guru Row, T. N.","Low-temperature structure of a twinned crystal of tris(2,4-pentanedionato)(1,10-phenanthroline)samarium(III)","Acta Crystallographica Section E","2001","57","10","m457","m458","10.1107/S1600536801014398","","","0.71069","MoKα","","","0.0729","","","","0.2006","","","","","","1.323","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2200765","11.709","0.005","14.551","0.004","17.558","0.006","90","","107.38","0.03","90","","2854.9","1.8","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,2-Bis(diphenylphosphino)ethane]dibromonickel(II) tetrahydrofuran solvate","","- C30 H32 Br2 Ni O P2 -","- C30 H32 Br2 Ni O P2 -","- C120 H128 Br8 Ni4 O4 P8 -","4","1","WN6045","Sophie Beaudoin; Davit Zargarian; Francine Bélanger-Gariépy; Frédéric-Georges Fontaine","[1,2-Bis(diphenylphosphino)ethane]dibromonickel(II) tetrahydrofuran solvate","Acta Crystallographica Section E","2001","57","10","m433","m434","10.1107/S1600536801014581","","","1.54056","CuKα1","","0.0578","0.0516","","0.1419","","0.138","","","1.016","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200766","7.6427","0.0014","11.035","0.002","37.95","0.005","90","","90","","90","","3200.6","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2SR,4RS)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","","- C14 H21 I O2 S -","- C14 H21 I O2 S -","- C112 H168 I8 O16 S8 -","8","1","WN6046","Guido J. Reiß; Marek Masnyk","(2<i>SR</i>,4<i>RS</i>)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","Acta Crystallographica Section E","2001","57","10","o959","o960","10.1107/S1600536801015069","","","0.71073","MoKα","","0.0722","0.0374","","","","0.0686","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200767","6.1329","0.0008","14.3524","0.0013","9.4381","0.001","90","","103.919","0.009","90","","806.37","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,4R)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","","- C14 H21 I O2 S -","- C14 H21 I O2 S -","- C28 H42 I2 O4 S2 -","2","1","WN6047","Guido J. Reiß; Marek Masnyk","(2<i>R</i>,4<i>R</i>)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","Acta Crystallographica Section E","2001","57","10","o961","o963","10.1107/S1600536801015070","","","0.71073","MoKα","","0.046","0.035","","","","0.0656","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200768","9.9226","0.0005","10.8473","0.0007","13.3665","0.0007","90","","106.578","0.003","90","","1378.88","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Quinoline","Quinoline","","- C9 H7 N -","- C9 H7 N -","- C72 H56 N8 -","8","2","WN6048","Davies, John E.; Bond, Andrew D.","Quinoline","Acta Crystallographica Section E","2001","57","10","o947","o949","10.1107/S1600536801014891","","","0.7107","MoKα","","0.0636","0.0448","","","","0.1239","","","","","","1.039","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200769","12.57","0.002","14.285","0.003","17.502","0.004","85.082","0.01","69.225","0.012","87.07","0.02","2926.8","1","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","Aqua{5,15-bis[4-(2-trimethylsilylacetylene)phenyl]-2,8,12,18-tetrakis(2- methoxycarbonylethyl)-3,7,13,17-tetramethyl-10,20-dioxoporphyrinato}zinc(II)","","- C62 H68 N4 O11 Si2 Zn -","- C62 H68 N4 O11 Si2 Zn -","- C124 H136 N8 O22 Si4 Zn2 -","2","1","WN6049","Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Clyde-Watson, Zoe; Bampos, Nick; Sanders, Jeremy K. M.","Aqua{5,15-bis[4-(2-trimethylsilylacetylene)phenyl]-2,8,12,18-tetrakis(2-methoxycarbonylethyl)-3,7,13,17-tetramethyl-10,20-dioxoporphyrinato}zinc(II)","Acta Crystallographica Section E","2001","57","10","m454","m456","10.1107/S1600536801014854","","","0.6879","synchrotron","","0.0756","0.0539","","","","0.1354","","","","","","0.915","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2200770","11.0977","0.0002","23.7744","0.0002","17.1024","0.0001","90","","94.347","0.001","90","","4499.34","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 Br2 Cu2 N10 O4 -","- C45 H38 Br2 Cu2 N10 O4 -","- C180 H152 Br8 Cu8 N40 O16 -","4","1","WN6050","Guido Kickelbick","The unexpected fixation of CO~2~ employing a Cu^I^Br(bpy)~2~ complex","Acta Crystallographica Section E","2001","57","10","m475","m477","10.1107/S1600536801015276","","","0.71073","MoKα","","0.0577","0.0473","","","","0.1098","","","","","","1.173","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200771","7.6547","0.0001","19.1163","0.0002","10.8285","0.0001","90","","106.041","0.001","90","","1522.83","0.03","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(nicotinamide)bis(o-sulfobenzimidato-N)cadmium(II)","","- C26 H24 Cd N6 O10 S2 -","- C26 H24 Cd N6 O10 S2 -","- C52 H48 Cd2 N12 O20 S4 -","2","0.5","WN6051","C̨akir, Semiha; Naumov, Panče; Bulut, İclal; Bic̨er, Ender; C̨akir, Osman; Jovanovski, Gligor; Ibrahim Abdul Razak; Chantrapromma, Suchada; Fun, Hoong-Kun; Ng, Seik Weng","Diaquabis(nicotinamide)bis(<i>o</i>-sulfobenzimidato-<i>N</i>)cadmium(II)","Acta Crystallographica Section E","2001","57","10","m431","m432","10.1107/S1600536801014453","","","0.71073","MoKα","","0.0455","0.0372","","","","0.0958","","","","","","0.985","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200772","5.8955","0.001","5.8955","0.001","9.599","0.001","90","","90","","120","","288.93","0.08","290","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F12 H16 N4 Si2 -","2","0.166667","WN6052","Fábry, Jan; Chval, Jindřich; Petříček, Vaclav","A new modification of diammonium hexafluorosilicate, (NH~4~)~2~SiF~6~","Acta Crystallographica Section E","2001","57","10","i90","i91","10.1107/S160053680101501X","","","0.71069","MoKα","","0.0192","0.0178","","","","0.0221","","","","","","1.7","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200773","26.519","0.004","5.1011","0.0009","12.143","0.002","90","","110.019","0.004","90","","1543.4","0.4","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(4-nitrobenzoato)zinc(II)","","- C14 H12 N2 O10 Zn -","- C14 H12 N2 O10 Zn -","- C56 H48 N8 O40 Zn4 -","4","0.5","WN6053","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","Diaquabis(4-nitrobenzoato)zinc(II): a redetermination","Acta Crystallographica Section E","2001","57","10","m472","m474","10.1107/S1600536801015082","","","0.71073","MoKα","","0.0286","0.0282","","","","0.0738","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200774","12.584","0.003","10.083","0.002","13.956","0.003","90","","102.57","0.03","90","","1728.4","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","2","WN6054","Cai, Yue-Peng; Tan, Duan-Min; Liao, Miao-Fen; Su, Cheng-Yong; Xu, Zun-Le; Kang, Bei-Sheng","1-Oxo-13c-propoxy-1,13c-dihydrodibenzo[<i>a</i>,<i>kl</i>]xanthene","Acta Crystallographica Section E","2001","57","11","o1014","o1015","10.1107/S1600536801016087","","","0.71073","MoKα","","0.0751","0.0441","","","","0.097","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200775","7.324","0.006","7.342","0.009","15.559","0.01","77.95","0.01","86.43","0.01","78.09","0.01","800.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H21 Cl2 N3 O4 -","- C12 H21 Cl2 N3 O4 -","- C24 H42 Cl4 N6 O8 -","2","1","WN6055","John Burgess; John Fawcett; Simon A. Parsons","3-Hydroxy-1-(3-imidazolylpropyl)-2-methyl-4-pyridinone dihydrochloride dihydrate","Acta Crystallographica Section E","2001","57","11","o1016","o1018","10.1107/S1600536801016130","","","0.71073","MoKα","","0.1506","0.0621","","","","0.1514","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200776","10.782","0.0003","19.6026","0.0004","22.5181","0.0007","90","","90","","90","","4759.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","asco8-m","Diastereomer 8 of desoxazolin-ascidiacyclamide derivatives cyclo(-Ile-D-allo-MsThr-D-Val-Thz-Ile-D-allo-MsThr-D-Val-Thz-) Ms=methoxysufonyl","","- C38 H60 N8 O12 S4 -","- C38 H60 N8 O12 S4 -","- C152 H240 N32 O48 S16 -","4","1","WN6056","Mitsunobu Doi; Akiko Asano; Yoshihide Usami; Yoshio Katsuya; Masamichi Nakai; Masahiro Sasaki; Taizo Taniguchi; Hiroshi Hasegawa","A folded conformation of an ascidiacyclamide derivative: 3-methoxysulfoxide-(2<i>R</i>,3<i>R</i>)-threoninyl desoxazoline-ascidiacyclamide","Acta Crystallographica Section E","2001","57","11","o1019","o1021","10.1107/S1600536801016129","","","0.836","synchrotron","","0.0783","0.075","","","","0.2014","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200777","14.522","0.001","10.439","0.001","10.523","0.001","90","","109.46","0.004","90","","1504.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-methyl-N-(4-nitro-2-phenoxyphenyl)methanesulfonamide","","- C14 H14 N2 O5 S -","- C14 H14 N2 O5 S -","- C56 H56 N8 O20 S4 -","4","1","WN6057","Michaux, Catherine; Charlier, Caroline; Julémont, Fabien; Norberg, Bernadette; Dogné Jean-Michel; Durant, François","FJ6, <i>N</i>-methyl-<i>N</i>-(4-nitro-2-phenoxyphenyl)methanesulfonamide","Acta Crystallographica Section E","2001","57","11","o1012","o1013","10.1107/S1600536801015823","","","1.54178","CuKα","","0.044","0.0413","","","","0.1176","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200778","32.0245","0.0014","7.1329","0.0003","14.6141","0.0006","90","","116.864","0.001","90","","2978","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorobis(3,4,5,6-tetrahydropyrimidinium-2-thiolato-S)cobalt(II)","","- C8 H16 Cl2 Co N4 S2 -","- C8 H16 Cl2 Co N4 S2 -","- C64 H128 Cl16 Co8 N32 S16 -","8","1","WN6058","Ibrahim Abdul Razak; Anwar Usman; Hoong-Kun Fun; Bohari M. Yamin; Goh Wooi Keat","Dichlorobis(3,4,5,6-tetrahydropyrimidinium-2-thiolato-<i>S</i>)cobalt(II)","Acta Crystallographica Section E","2001","57","11","m527","m528","10.1107/S1600536801016828","","","0.71073","MoKα","","0.0687","0.0507","","","","0.1416","","","","","","0.984","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200779","10.113","0.0004","8.9101","0.0002","15.6434","0.0007","90","","96.855","0.0017","90","","1399.52","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(2-Thienyl)-9-(2-phenylethyl)-9H-purine","","- C16 H12 N4 S -","- C16 H12 N4 S -","- C64 H48 N16 S4 -","4","1","WN6059","Mazumdar, Pooja Anjali; Das, Amit Kumar; Bakkestuen, Ann Kristin; Gundersen, Lise-Lotte; Bertolasi, Valerio","9-(2-Phenylethyl)-6-(2-thienyl)-9<i>H</i>-purine","Acta Crystallographica Section E","2001","57","11","o1052","o1054","10.1107/S1600536801016907","","","0.7107","MoKα","","0.062","0.047","","","","0.1303","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200780","30.1055","0.0018","7.5383","0.0011","13.8612","0.0014","90","","90.338","0.004","90","","3145.7","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[3-(4-Chlorophenyl)pyrazol-5-yl]-1-(2-hydroxy-4-methoxyphenyl)ethanone","","- C18 H15 Cl N2 O3 -","- C18 H15 Cl N2 O3 -","- C144 H120 Cl8 N16 O24 -","8","1","WN6060","Errington, William; Kumar, Rajesh; Kumar, Naresh; Parmar, Virinder S.; Roy, Sucharita","2-[3-(4-Chlorophenyl)pyrazol-5-yl]-1-(2-hydroxy-4-methoxyphenyl)ethanone","Acta Crystallographica Section E","2001","57","11","o1084","o1086","10.1107/S1600536801017421","","","0.71073","MoKα","","0.073","0.042","","","","0.1052","","","","","","0.913","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200781","20.626","0.004","10.099","0.002","17.183","0.003","90","","90","","90","","3579.3","1.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H56 B9 N -","- C32 H56 B9 N -","- C128 H224 B36 N4 -","4","1","WN6061","Rosair, Georgina M.; Schmidt, Falk H.; Welch, Alan J.","Tetra-<i>n</i>-butylammonium 7-phenylethynyl-8-phenyl-7,8-<i>nido</i>-dicarbadecahydroundecaborate(1{-})","Acta Crystallographica Section E","2001","57","12","o1171","o1172","10.1107/S1600536801018888","","","0.71073","MoKα","","0.2212","0.1015","","","","0.3023","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200782","5.904","0.003","13.519","0.006","7.883","0.006","90","","90.26","0.06","90","","629.2","0.6","150","2","150","2","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","zinc(II) sulfate tetrahydrate","zinc(II) sulfate tetrahydrate","Boyleite","- H16 O16 S2 Zn2 -","- H16 O16 S2 Zn2 -","- H32 O32 S4 Zn4 -","2","0.5","WN6062","Blake, Alexander J.; Cooke, Paul A.; Hubberstey, Peter; Sampson, Claire L.","Zinc(II) sulfate tetrahydrate","Acta Crystallographica Section E","2001","57","12","i109","i111","10.1107/S1600536801017998","","","0.71073","MoKα","","0.094","0.059","","","","0.157","","","","","","1.077","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2200783","10.8877","0.0002","24.1232","0.0004","16.7066","0.0002","90","","95.772","0.001","90","","4365.68","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H45 Cu P2 S2 -","- C48.5 H45 Cu P2 S2 -","- C194 H180 Cu4 P8 S8 -","4","1","WN6063","Theivanayagam C Deivaraj; Jagadese J. Vittal","Bis(dithioacetato-κ^2^<i>S</i>)bis(triphenylphosphine-κ<i>P</i>)copper(I) 1.5-toluene solvate","Acta Crystallographica Section E","2001","57","12","m566","m567","10.1107/S1600536801018281","","","0.71073","MoKα","","0.091","0.0642","","","","0.1605","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2200784","7.024","0.003","7.556","0.004","14.102","0.004","90","","97.52","0.04","90","","742","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","β-alaninium perchlorate","β-alaninium perchlorate","","- C3 H8 Cl N O6 -","- C3 H8 Cl N O6 -","- C12 H32 Cl4 N4 O24 -","4","1","WN6064","S. Pandiarajan; B. Sridhar; R. K. Rajaram","β-Alaninium perchlorate","Acta Crystallographica Section E","2001","57","11","o1130","o1132","10.1107/S1600536801018128","","","0.71073","MoKα","","0.07","0.0619","","","","0.2164","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2200785","5.451","0.001","8.807","0.002","22.649","0.005","90","","90","","90","","1087.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D-phenylglycinium perchlorate","D-phenylglycinium perchlorate","","- C8 H10 Cl N O6 -","- C8 H10 Cl N O6 -","- C32 H40 Cl4 N4 O24 -","4","1","WN6065","S.Ramaswamy; B.Sridhar; V.Ramakrishnan; R.K.Rajaram","<small>D</small>-Phenylglycinium perchlorate","Acta Crystallographica Section E","2001","57","12","o1149","o1151","10.1107/S160053680101858X","","","0.71073","MoKα","","0.058","0.0556","","","","0.1612","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200786","8.6314","0.0007","10.3062","0.0008","11.972","0.0009","75.4198","0.001","83.3078","0.001","84.9883","0.001","1021.81","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H62 Cl2 Ni P2 S2 -","- C36 H62 Cl2 Ni P2 S2 -","- C36 H62 Cl2 Ni P2 S2 -","1","0.5","WN6066","Ilia A. Guzei; Makwena J. Moloto; James Darkwa","Bis(<i>p</i>-chlorothiophenolato)bis(tri-<i>n</i>-butylphosphine)nickel(II)","Acta Crystallographica Section E","2001","57","12","m568","m569","10.1107/S1600536801018554","","","0.71073","MoKα","","0.0533","0.0425","","","","0.1258","","","","","","1.071","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200787","15.5665","0.0011","15.5665","0.0011","6.7777","0.0006","90","","90","","120","","1422.31","0.19","297","2","297","2","","","","","","","","5","P -3","-P 3","147","[CdBr4] [CdBr3] + 3 DEAH","","","- C12 H36 Br7 Cd2 N3 -","- C12 H36 Br7 Cd2 N3 -","- C24 H72 Br14 Cd4 N6 -","2","0.333333","WN6067","Willett, Roger D.; Twamley, Brendan","Diethylammonium heptabromidedicadmium(II)","Acta Crystallographica Section E","2001","57","12","m573","m575","10.1107/S1600536801018852","","","0.71073","MoKα","","0.0699","0.0389","","","","0.082","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200788","6.7155","0.0008","14.6106","0.0011","10.3011","0.0008","90","","95.333","0.01","90","","1006.34","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","copper(II)diene dichloride","","","- C8 H28 Cl4 Cu2 N6 O -","- C8 H28 Cl4 Cu2 N6 O -","- C16 H56 Cl8 Cu4 N12 O2 -","2","0.5","WN6069","Willett, Roger D.","Aqua-di-μ~2~-chloro-bis(diethylenetriamine)dicopper(II) dichloride","Acta Crystallographica Section E","2001","57","12","m605","m606","10.1107/S1600536801019808","","","0.71073","MoKα","","0.0472","0.0407","","","","0.1159","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200789","15.575","0.003","10.434","0.008","12.217","0.003","90","","94.65","0.01","90","","1978.8","1.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R,5R)-2-(N-Methyl-benzylamino)-3-nitro-4-(1',2',3',4',5'-penta-O-acetyl-D- manno-pentitol-1-yl)-5-phenyl-5-phenylcarbamoyl-4,5-dihydrothiophene","","- C40 H43 N3 O13 S -","- C40 H43 N3 O13 S -","- C80 H86 N6 O26 S2 -","2","1","WN6070","Diánez, María Jesús; Estrada, María Dolores; López-Castro, Amparo; Pérez-Garrido, Simeón","(4<i>R</i>,5<i>R</i>)-2-(<i>N</i>-Methyl-benzylamino)-3-nitro-4-(1',2',3',4',5'-penta-<i>O</i>-acetyl-<small>D</small>-<i>manno</i>-pentitol-1-yl)-5-phenyl-5-phenylcarbamoyl-4,5-dihydrothiophene at 150K","Acta Crystallographica Section E","2001","57","12","o1255","o1257","10.1107/S1600536801019559","","","0.71069","MoKα","","0.0544","0.0413","","","","0.1076","","","1.02","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200790","11.8845","0.001","14.8554","0.0018","21.652","0.003","90","","97.372","0.009","90","","3791","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Palladium, tetrakis[μ-(cyano-C:N)]tetrakis(pentafluorophenyl) tetrakis(triethylphosphine)tetra-, cyclo (9CI), ditoluene","","- C66 H76 F20 N4 P4 Pd4 -","- C66 H76 F20 N4 P4 Pd4 -","- C132 H152 F40 N8 P8 Pd8 -","2","0.5","YA6040","Jonathan P. H. Charmant; Pablo Espinet; Katerina Soulantica","Square [Pd~4~(μ-CN)~4~(C~6~F~5~)~4~(PEt~3~)~4~]·2C~6~H~5~CH~3~","Acta Crystallographica Section E","2001","57","10","m451","m453","10.1107/S1600536801014994","","","0.71073","MoKα","","0.039","0.025","","","","0.061","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200791","12.536","0.016","5.378","0.004","14.962","0.009","90","","107.83","0.08","90","","960.3","1.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Phenylalanine‒nitric acid (2/1)","L-Phenylalanine‒nitric acid (2/1)","","- C18 H23 N3 O7 -","- C18 H16 N3 O7 -","- C36 H32 N6 O14 -","2","1","YA6047","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","<small>L</small>-Phenylalanine‒nitric acid (2/1)","Acta Crystallographica Section E","2001","57","10","o916","o918","10.1107/S1600536801014350","","","0.71073","MoKα","","0.093","0.069","","","","0.22","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200792","8.5196","0.0009","9.144","0.001","11.386","0.004","69.41","0.02","89.44","0.01","84.22","0.01","825.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Acridine‒isophthalic acid","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C42 H30 N2 O8 -","2","1","YA6049","Shaameri, Zurina; Shan, Ning; Jones, William","Acridinium isophthalate","Acta Crystallographica Section E","2001","57","10","o945","o946","10.1107/S1600536801013927","","","0.71073","MoKα","","0.074","0.045","","","","0.12","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200793","8.659","0.004","10.036","0.0017","13.292","0.003","91.731","0.016","91.17","0.03","109.09","0.02","1090.5","0.6","293","1","293","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co2 O6 Sn2 -","- C14 H18 Co2 O6 Sn2 -","- C28 H36 Co4 O12 Sn4 -","2","1","YA6054","Zachwieja, Uwe; Preut, Hans; Mitchell, Terence; Zavgorodnii, Vladislav S.; Golosovskii, Andrei V.; Klyuchinskii, Sergei A.","{[μ,η^2^-Bis(trimethylstannyl)]acetylene}hexacarbonyldicobalt","Acta Crystallographica Section E","2001","57","11","m531","m532","10.1107/S1600536801016154","","","0.56083","AgKα","","0.047","0.034","","","","0.091","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200794","10.713","0.0003","9.0471","0.0003","20.6565","0.0007","90","","90.1565","0.0013","90","","2002.05","0.11","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","1","YA6055","Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","Monoclinic form of 2-{5,5-dimethyl-3-[2-(2,4,6-trimethoxyphenyl)vinyl]cyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","10","o964","o965","10.1107/S1600536801015203","","","0.71073","MoKα","","0.167","0.054","","","","0.136","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200795","7.5983","0.0003","11.4757","0.0004","11.5774","0.0004","84.8457","0.0015","82.2149","0.0016","79.0257","0.0017","979.77","0.06","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C44 H48 N4 O6 -","2","1","YA6056","Kolev, Tsonko; Glavcheva, Zornitza; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","Triclinic form of 2-{5,5-dimethyl-3-[2-(2,4,6-trimethoxyphenyl)vinyl]cyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","10","o966","o967","10.1107/S1600536801015197","","","0.71073","MoKα","","0.203","0.053","","","","0.118","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200796","7.2637","0.0003","14.4294","0.0005","15.1081","0.0005","70.368","0.003","78.55","0.002","89.08","0.0014","1459.56","0.1","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","11-Chloro-5H-6,7-dihydrobenzothiazolo[2,3-b]benzo[h]quinazoline","","- C18 H13 Cl N2 S -","- C18 H13 Cl N2 S -","- C72 H52 Cl4 N8 S4 -","4","2","YA6057","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Hernández, Pedro","11-Chloro-5,7-dihydro-6<i>H</i>-benzothiazolo[2,3-<i>b</i>]benzo[<i>h</i>]quinazoline","Acta Crystallographica Section E","2001","57","10","o937","o938","10.1107/S1600536801014787","","","0.71073","MoKα","","0.073","0.042","","","","0.102","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200797","16.012","0.003","13.761","0.002","18.126","0.004","90","","98.49","0.02","90","","3950.1","1.3","291","1","291","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Co2 O4 P2 Sn2 -","- C37 H40 Co2 O4 P2 Sn2 -","- C148 H160 Co8 O16 P8 Sn8 -","4","1","YA6058","Zachwieja, Uwe; Preut, Hans; Mitchell, Terence; Zavgorodnii, Vladislav S.; Golosovskii, Andrei V.; Karpov, Maxim G.","[Bis(diphenylphosphino)methane][μ,η^2^-bis(trimethylstannyl)acetylene]tetracarbonyldicobalt","Acta Crystallographica Section E","2001","57","11","m533","m534","10.1107/S1600536801016166","","","0.56083","AgKα","","0.094","0.036","","","","0.105","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200798","7.128","0.005","9.995","0.005","25.55","0.02","90","","94.26","0.06","90","","1815","2","123","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl2 P Ru -","- C18 H21 Cl2 P Ru -","- C72 H84 Cl8 P4 Ru4 -","4","1","YA6059","Jensen, Svend B.; Spicer, Mark D.","(η^6^-Benzene)dichloro(diallylphenylphosphine)ruthenium(II), the first structurally characterized complex with the diallylphosphine ligand","Acta Crystallographica Section E","2001","57","10","o978","o979","10.1107/S1600536801015215","","","0.71073","MoKα","","0.051","0.03","","","","0.079","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200799","4.1204","0.0006","10.7106","0.0017","13.842","0.002","97.45","0.004","94.291","0.004","97.184","0.004","598.38","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-(1-Chloroethyl)coumarin-7-yl acetate","","- C13 H11 Cl O4 -","- C13 H11 Cl O4 -","- C26 H22 Cl2 O8 -","2","1","YA6060","Errington, William; Parmar, Virinder S.; Singh, Amarjit; Singh, Ishwar","7-Acetoxy-4-(1-chloroethyl)coumarin","Acta Crystallographica Section E","2001","57","10","o939","o940","10.1107/S1600536801014799","","","0.71073","MoKα","","0.0574","0.0422","","","","0.1179","","","","","","1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200800","9.171","0.002","11.353","0.002","20.314","0.004","101.98","0.01","94.56","0.02","107.28","0.02","1952.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1,4:2,3-bis(μ-2,4,6-trimethylphenyl-C:C)-1,2:3,4-bis[μ- bis(trimethylsilyl)amido-N:N]tetracopper(I)","","- C30 H58 Cu4 N2 Si4 -","- C30 H58 Cu4 N2 Si4 -","- C60 H116 Cu8 N4 Si8 -","2","1","YA6061","Niemeyer, Mark","A heteroleptic tetranuclear copper amide/aryl complex: 1,4:2,3-bis(μ-2,4,6-trimethylphenyl-<i>C</i>,<i>C</i>)-1,2:3,4-bis[μ-bis(trimethylsilyl)amido-<i>N</i>,<i>N</i>]tetracopper(I)","Acta Crystallographica Section E","2001","57","10","m491","m493","10.1107/S1600536801015550","","","0.71073","MoKα","","0.047","0.037","","","","0.101","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200801","19.706","0.006","4.614","0.002","12.308","0.004","90","","104.7","0.03","90","","1082.5","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-chloro-2-(phenyldiazenyl)phenol","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C48 H36 Cl4 N8 O4 -","4","1","YA6063","Yatsenko, A. V.; Paseshnichenko, K. A.; Schenk, H.","4-Chloro-2-(phenyldiazenyl)phenol from powder data: a form stable at room temperature","Acta Crystallographica Section E","2001","57","12","o1154","o1155","10.1107/S1600536801018426","","","1.5418","CuKα","","","","","","","","","","1.09","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200802","12.384","0.004","19.767","0.006","4.554","0.002","90","","93.27","0.03","90","","1113","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-chloro-2-(phenyldiazenyl)phenol","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C48 H36 Cl4 N8 O4 -","4","1","YA6064","Yatsenko, A. V.; Paseshnichenko, K. A.; Schenk, H.","4-Chloro-2-(phenyldiazenyl)phenol from powder data: a form metastable at room temperature","Acta Crystallographica Section E","2001","57","12","o1156","o1157","10.1107/S1600536801018438","","","1.5418","CuKα","","","","","","","","","","1.71","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200803","15.036","0.005","12.722","0.004","7.042","0.003","90","","90","","90","","1347.1","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pigment Orange 2","1-[(2-nitrophenyl)hydrazono]-1H-naphthalen-2-one","","- C16 H11 N3 O3 -","- C16 H11 N3 O3 -","- C64 H44 N12 O12 -","4","1","YA6065","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.; Chernyshev, Vladimir V.; Schenk, Henk","1-[(2-Nitrophenyl)hydrazono]-1<i>H</i>-naphthalen-2-one (Pigment Orange 2) from powder data","Acta Crystallographica Section E","2001","57","12","o1152","o1153","10.1107/S1600536801018268","","","1.5418","CuKα","","","","","","","","","","3.86","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200804","11.3398","0.0006","11.3398","0.0006","17.3584","0.0011","90","","90","","120","","1933.09","0.19","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","(MeCN)6Fe (SbF6)2","hexakis(acetonitrile) iron(II) hexafluoroantimonate","","- C12 H18 F12 Fe N6 Sb2 -","- C12 H18 F12 Fe N6 Sb2 -","- C36 H54 F36 Fe3 N18 Sb6 -","3","0.166667","YA6066","Brennessel, William W.; Brooks, Neil R.; Mehn, Mark P.; Que Jr, Lawrence; Young Jr, Victor G.","Hexakis(acetonitrile)iron(II) hexafluoroantimonate","Acta Crystallographica Section E","2001","57","11","m545","m546","10.1107/S1600536801017585","","","0.71073","MoKα","","0.025","0.024","","","","0.069","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200805","14.3726","0.0007","14.6998","0.0011","15.9304","0.0009","90","","115.156","0.004","90","","3046.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N4 O6 Pd2 -","- C31 H32 N4 O6 Pd2 -","- C124 H128 N16 O24 Pd8 -","4","1","YA6067","Olga Juanes; Juan-Carlos Rodriguez-Ubis; César J. Pastor","Double cyclometallation of bis[3-(3-methoxyphenyl)pyrazol-1-yl]methane in a bis[(acetylacetonato)palladium(II)] complex","Acta Crystallographica Section E","2001","57","12","m576","m577","10.1107/S1600536801018712","","","1.54178","CuKα","","0.035","0.033","","","","0.088","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200806","12.1298","0.0017","9.5303","0.0013","17.144","0.002","90","","90","","90","","1981.9","0.5","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis-Tris","","","- C8 H19 N O5 -","- C8 H19 N O5 -","- C64 H152 N8 O40 -","8","1","YA6068","Nicholson, Kirsten N.; Twamley, Brendan; Wood, Scott","[Bis(2-hydroxyethyl)amino]tris(hydroxymethyl)methane (Bis‒Tris), an important complexing agent","Acta Crystallographica Section E","2001","57","11","o1133","o1135","10.1107/S1600536801017974","","","0.71073","MoKα","","0.043","0.034","","","","0.084","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200807","7.0317","0.0001","11.0201","0.0002","5.3323","0.0001","90","","90","","90","","413.2","0.012","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","maleic anhydride","2,5-furandione","","- C4 H2 O3 -","- C4 H2 O3 -","- C16 H8 O12 -","4","1","YA6070","Lutz, Martin","Maleic anhydride, redetermination at 130K","Acta Crystallographica Section E","2001","57","11","o1136","o1138","10.1107/S1600536801017962","","","0.71073","MoKα","","0.031","0.027","","","","0.07","","","","","","0.93","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200808","35.262","0.003","8.3791","0.0005","24.9461","0.0017","90","","120.536","0.006","90","","6348.4","0.9","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H27.5 Br2 N4.5 O4 Pd2 -","- C30 H27.5 Br2 N4.5 O4 Pd2 -","- C240 H220 Br16 N36 O32 Pd16 -","8","1","YA6071","Olga Juanes; Juan-Carlos Rodriguez-Ubis; César J. Pastor","Double cyclometallation of bis[3-(3-bromophenyl)pyrazol-1-yl]methane in the bis[acetylacetonatopalladium(II)] complex","Acta Crystallographica Section E","2001","57","12","m595","m596","10.1107/S1600536801019419","","","1.54178","CuKα","","0.06","0.055","","","","0.143","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200809","9.754","0.003","11.9028","0.0018","17.093","0.003","75.923","0.014","74.367","0.018","66.56","0.016","1732.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(1,1':3',1''-terphenyl-κC^2'^)bis(tetrahydrofuran-κO)ytterbium(II)","","- C44 H42 O2 Yb -","- C44 H42 O2 Yb -","- C88 H84 O4 Yb2 -","2","1","YA6073","Niemeyer, Mark","A solvated ytterbium diaryl: bis(1,1':3',1''-terphenyl-<i>C</i>^2'^)bis(tetrahydrofuran-<i>O</i>)ytterbium(II)","Acta Crystallographica Section E","2001","57","12","m578","m580","10.1107/S1600536801018797","","","0.71073","MoKα","","0.04","0.032","","","","0.078","","","","","","1.19","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200810","13.1374","0.0003","13.2089","0.0003","19.7506","0.0004","90","","90","","90","","3427.33","0.13","291","1","291","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","YA6074","Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","2-{5,5-Dimethyl-3-[2-(2-methoxyphenyl)vinyl]cyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","12","o1166","o1167","10.1107/S1600536801018700","","","0.71073","MoKα","","0.137","0.049","","","","0.125","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200811","34.1913","0.0012","10.7042","0.0004","19.1129","0.0009","90","","118.186","0.002","90","","6165.6","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 5-methyl-3,4-diphenyl-1H-pyrrole-2-carboxylate","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C304 H272 N16 O32 -","16","2","YA6076","Light, Mark E.; Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.","Methyl 5-methyl-3,4-diphenyl-1<i>H</i>-pyrrole-2-carboxylate","Acta Crystallographica Section E","2001","57","12","o1245","o1246","10.1107/S1600536801019225","","","0.71073","MoKα","","0.128","0.06","","","","0.171","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200812","8.0274","0.0012","8.389","0.002","20.562","0.003","90","","90.606","0.019","90","","1384.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Dibromophenyl 2,6-dibromophenyl ether","","- C12 H6 Br4 O -","- C12 H6 Br4 O -","- C48 H24 Br16 O4 -","4","1","AC6000","Eriksson, Johan; Eriksson, Lars; Hu, Jiwei","2,4-Dibromophenyl 2,6-dibromophenyl ether","Acta Crystallographica Section E","2002","58","3","o347","o349","10.1107/S1600536802002738","","","0.71073","MoKα","","0.059","0.0294","","","0.0539","0.0563","","","","","","0.981","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200813","3.4165","0.0001","3.4165","0.0001","25.122","0.001","90","","90","","120","","253.95","0.015","299","2","299","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","Ytterbium Cobalt Gallium Oxide","","","- Co Ga O4 Yb -","- Co Ga O4 Yb -","- Co3 Ga3 O12 Yb3 -","3","0.0833333","BR6029","Dabkowska, Hanna A.; Gaulin, Bruce D.; Dabkowski, Antoni; Luke, Graeme M.; Britten, James F.","Ytterbium cobalt gallium oxide, YbCoGaO~4~, as grown by the floating zone technique","Acta Crystallographica Section E","2002","58","1","i1","i2","10.1107/S1600536801020062","","","0.71073","MoKα","","0.0288","0.0269","","","0.0616","0.0618","","","","","","1.158","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2200814","5.3046","0.0008","8.3053","0.0013","12.7","0.002","90","","90.502","0.003","90","","559.48","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Mg O7 P2 Sr -","- Mg O7 P2 Sr -","- Mg4 O28 P8 Sr4 -","4","1","","Alaoui Tahiri, Aziz; El Bali, Brahim; Lachkar, Mohammed; Ouarsal, Rachid; Zavalij, Peter Y.","SrMgP~2~O~7~","Acta Crystallographica, Section E","2002","58","","i9","i11","10.1107/S1600536801020633","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200815","11.994","0.003","11.131","0.002","11.384","0.009","90","","109.31","0.08","90","","1434.3","1.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H30 Mo6 N4 Ni O28 -","- Mo6 N4 Ni O28 -","- Mo12 N8 Ni2 O56 -","2","0.5","BR6038","Lee, Uk; Joo, Hea-Chung; Kwon, Jae-Sam","Tetraammonium hexahydrogen hexamolybdonickelate(II) tetrahydrate, (NH~4~)~4~[H~6~NiMo~6~O~24~]·4H~2~O","Acta Crystallographica Section E","2002","58","1","i6","i8","10.1107/S1600536801021109","","","0.71069","MoKα","","0.0813","0.0526","","","0.117","0.1371","","","","","","1.128","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200816","9.3857","0.0009","9.3857","0.0009","56.261","0.009","90","","90","","120","","4292.1","0.9","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- K2 Mo15 S19 -","- K2 Mo15 S19 -","- K12 Mo90 S114 -","6","0.166667","BR6039","Picard, S.; Gougeon, P.; Potel, M.","K~2~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section E","2002","58","2","i12","i14","10.1107/S1600536801021651","","","0.71073","MoKα","","0.0285","0.0189","","","0.0361","0.0377","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200817","10.224","0.001","7.37","0.001","24.866","0.002","90","","98.41","0.01","90","","1853.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H12 Mg O10 Se -","- H12 Mg O10 Se -","- H96 Mg8 O80 Se8 -","8","1","","Kolitsch, Uwe","Magnesium selenate hexahydrate, MgSeO~4~.6H~2~O","Acta Crystallographica, Section E","2002","58","","i3","i5","10.1107/S1600536801020864","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200818","4.7461","0.0006","4.7461","0.0006","9.3075","0.0011","90","","90","","120","","181.57","0.04","293","2","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Ba Sb -","- Au Ba Sb -","- Au2 Ba2 Sb2 -","2","0.0833333","BR6041","Lee, Eun Kwang; Miller, Gordon J.; Kang, Sung Kwon","The intermetallic compound BaAuSb","Acta Crystallographica Section E","2002","58","2","i17","i18","10.1107/S1600536802000569","","","0.71073","MoKα","","","0.0326","","","","0.0818","","","","","","1.137","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200819","10.671","0.002","7.767","0.002","12.876","0.003","90","","90","","90","","1067.2","0.4","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Lithium potassium tungstate monohydrate","","- H2 K Li O5 W -","- H2 K Li O5 W -","- H16 K8 Li8 O40 W8 -","8","1","BR6043","Radosavljevic Evans, I.; Howard, Judith A. K.","Lithium potassium tungstate monohydrate, LiKWO~4~·H~2~O","Acta Crystallographica Section E","2002","58","3","i26","i28","10.1107/S1600536802002817","","","0.71073","MoKα","","","0.0197","","","","0.0201","","","","","","1.0055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200820","7.977","0.002","34.551","0.008","13.691","0.003","90","0.03","101.98","0.02","90","0.02","3691.2","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[NP(NCS)2]3","2, 2, 4, 4, 6, 6-hexaisothiocyanatocyclotriphosphazene","","- C6 N9 P3 S6 -","- C6 N9 P3 S6 -","- C48 N72 P24 S48 -","8","2","BT6083","Kessenich, Elmar; Schulz, Axel; Polborn, Kurt","A new polymorph of 2,2,4,4,6,6-hexaisothiocyanatocyclotriphosphazene","Acta Crystallographica Section E","2002","58","2","i15","i16","10.1107/S1600536801021158","","","0.71073","MoKα","","0.0807","0.0547","","0.1466","","0.131","","","1.059","","","1.127","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200821","7.461","0.001","11.663","0.002","24.621","0.005","94.31","0.03","90.88","0.03","94.01","0.03","2130.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4^'^-{[benzoyl(4-nitrophenylhydrazono)methyl]sulfonyl}acetanilide","","- C22 H18 N4 O6 S -","- C22 H18 N4 O6 S -","- C88 H72 N16 O24 S4 -","4","2","BT6090","Wojciech M. Wolf","4'-{[Benzoyl(4-nitrophenylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section E","2002","58","1","o1","o4","10.1107/S1600536801020347","","","1.54178","CuKα","","0.1331","0.0561","","","0.1328","0.18","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200822","13.1203","0.001","13.0461","0.0007","20.7233","0.0016","90","","99.718","0.009","90","","3496.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexa-μ~2~-chloro-tetrakis(2-ethylpyrazine-N)-μ~4~-oxo-tetracopper(II)","","- C24 H32 Cl6 Cu4 N8 O -","- C24 H32 Cl6 Cu4 N8 O -","- C96 H128 Cl24 Cu16 N32 O4 -","4","1","BT6092","Näther, Christian; Jeß, Inke","Hexa-μ~2~-chloro-tetrakis(2-ethylpyrazine-<i>N</i>)-μ~4~-oxo-tetracopper(II)","Acta Crystallographica Section E","2002","58","1","m4","m6","10.1107/S1600536801020438","","","0.71073","MoKα","","0.0452","0.0356","","","0.0937","0.0997","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200823","12.805","0.002","12.805","0.003","54.013","0.011","90","","90","","90","","8856","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","ccs","[cis,cis]-Ceratospongamide cyclo(-Ile-Oxz-Phe-Pro-Thz-Phe-Pro-) Oxz=oxazoline, Thz=thiazole","","- C41 H49 N7 O6 S -","- C41 H49 N7 O6 S -","- C328 H392 N56 O48 S8 -","8","1","BT6093","Mitsunobu Doi; Aiko Yumiba; Akiko Asano","The <i>cis,cis</i>-proline isomer of ceratospongamide","Acta Crystallographica Section E","2002","58","1","o62","o64","10.1107/S1600536801021079","","","1.5418","CuKα","","0.2172","0.0981","","","0.1264","0.1554","","","","","","1.688","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200824","20.2837","0.0008","42.098","0.002","6.1644","0.0002","90","","90","","90","","5263.8","0.4","293","1","293","1","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C18 H16 -","- C18 H16 -","- C288 H256 -","16","1","BT6094","Jovanovic, Jovan; Schürmann, Markus; Preut, Hans; Spiteller, Michael","2-(2',3'-Dihydro-1'<i>H</i>-inden1'-yl)-1<i>H</i>-indene","Acta Crystallographica Section E","2002","58","1","o33","o34","10.1107/S1600536801021080","","","0.71073","MoKα","","0.1275","0.0358","","","0.0658","0.0764","","","","","","0.815","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200825","14.7176","0.0002","14.768","0.0002","23.586","0.0003","90","","90","","90","","5126.41","0.12","291","1","291","1","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C18 H16 -","- C18 H16 -","- C288 H256 -","16","2","BT6095","Jovanovic, Jovan; Elling, Wilhelm; Schürmann, Markus; Preut, Hans; Spiteller, Michael","(<i>Z</i>)-2,3,2',3'-Tetrahydro-[1,1']biindenylidene","Acta Crystallographica Section E","2002","58","1","o35","o36","10.1107/S1600536801021092","","","0.71073","MoKα","","0.0909","0.0416","","","0.0996","0.1106","","","","","","0.913","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200826","9.001","0.001","20.421","0.003","9.935","0.001","90","","109.545","0.006","90","","1720.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Chloro-6-(3-dimethylaminopropylamino)-11H-pyrido[2,3-b][1,4]benzodiazepine","","- C17 H20 Cl N5 -","- C17 H20 Cl N5 -","- C68 H80 Cl4 N20 -","4","1","BT6097","Dupont, Léon; Eyrolles, Laurence; Evrard, Guy; Delarge, Jacques; Liégeois, Jean-François","8-Chloro-6-(3-dimethylaminopropylamino)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazepine","Acta Crystallographica Section E","2002","58","1","o69","o71","10.1107/S1600536801021286","","","0.71069","MoKα","","0.0511","0.0436","","","0.1137","0.1216","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200827","6.91","0.002","8.085","0.002","9.234","0.002","107.85","0.01","111.93","0.01","99.42","0.01","432.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-aqua-bis(thiocyanato-N)(bis(2-methylpyrazine-N)cobalt(II)","","- C12 H16 Co N6 O2 S2 -","- C12 H16 Co N6 O2 S2 -","- C12 H16 Co N6 O2 S2 -","1","0.5","BT6098","Näther, Christian; Greve, Jan; Beck, Andreas","Diaquabis(2-methylpyrazine-<i>N</i>)bis(thiocyanato-<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2002","58","1","m30","m32","10.1107/S1600536801021444","","","0.71073","MoKα","","0.052","0.0295","","","0.073","0.0788","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200828","8.0925","0.0008","11.8347","0.0007","11.3012","0.0011","90","","93.063","0.012","90","","1080.8","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dichlorotetrakis(4-methylimidazole)copper(II)]","","","- C16 H24 Cl2 Cu N8 -","- C16 H24 Cl2 Cu N8 -","- C32 H48 Cl4 Cu2 N16 -","2","0.5","BT6099","Näther, Christian; Wriedt, Mario; Jeß, Inke","Dichlorotetrakis(4-methylimidazole)copper(II)","Acta Crystallographica Section E","2002","58","2","m39","m40","10.1107/S1600536802000314","","","0.71073","MoKα","","0.0484","0.0341","","","0.0943","0.1011","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200829","11.571","0.003","7.18","0.003","15.53","0.005","90","","95.94","0.04","90","","1283.3","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-amino-5,6-dicyano-1-phenylimino-1H-isoindole","","- C16 H9 N5 -","- C16 H9 N5 -","- C64 H36 N20 -","4","1","BT6100","Dahl, Tor","3-Amino-5,6-dicyano-1-phenylimino-1<i>H</i>-isoindole","Acta Crystallographica Section E","2002","58","2","o139","o141","10.1107/S1600536802000442","","","0.7107","MoKα","","0.1275","0.0528","","","0.1165","0.1382","","","","","","0.928","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200830","8.576","0.003","8.804","0.004","15.921","0.006","90","","94.69","0.03","90","","1198.1","0.8","293","2","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-methoxyphenyl)phenylphosphine oxide","","- C13 H13 O2 P -","- C13 H13 O2 P -","- C52 H52 O8 P4 -","4","1","BT6101","Wieczorek, Wanda; Kruszynski, Rafal; Skoweranda, J. Jolanta; Pietrusiewicz, K. Michał","(2-Methoxyphenyl)phenylphosphine oxide","Acta Crystallographica Section E","2002","58","3","o229","o231","10.1107/S1600536802002143","","","1.54178","CuKα","","0.0441","0.0389","","","0.1175","0.1219","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200831","8.097","0.0006","12.355","0.001","14.701","0.001","84.116","0.002","82.041","0.003","75.302","0.003","1405.35","0.18","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","Diaquadichlorodiphenyltin(IV)^.^18-crown-6","","- C24 H38 Cl2 O8 Sn -","- C24 H38 Cl2 O8 Sn -","- C48 H76 Cl4 O16 Sn2 -","2","1","BT6102","Amini, Mostafa M.; Azadmeher, Amirreza; Yousefi, Mohammad; Foladi, Shahrbano; Ng, Seik Weng","Diaquadichlorodiphenyltin(IV) 18-crown-6","Acta Crystallographica Section E","2002","58","2","m58","m60","10.1107/S1600536802001125","","","0.71073","MoKα","","0.0437","0.0276","","","0.0654","0.0689","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200832","6.581","0.0004","15.377","0.001","8.3671","0.0005","90","","93.49","0.01","90","","845.15","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tosyl cyanide","p-toluenesulfonyl cyanide","","- C8 H7 N O2 S -","- C8 H7 N O2 S -","- C32 H28 N4 O8 S4 -","4","1","BT6103","Jay, David A.; Whiting, Andrew; Yufit, Dmitrii. S.; Howard, Judith A. K.; Hermitage, Stephen","<i>p</i>-Tolylsulfonyl cyanide","Acta Crystallographica Section E","2002","58","2","o191","o193","10.1107/S1600536802001113","","","0.71073","MoKα","","0.0692","0.045","","","0.1184","0.1304","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200833","11.831","0.006","11.831","0.006","11.76","0.008","90","","90","","90","","1646.1","1.6","298","2","298","2","","","","","","","","7","I -4 2 m","I -4 2","121","","Tetrakis(trimethylammonioacetato-O)copper(II) bis(hexafluorophosphate)","","- C20 H44 Cu F12 N4 O8 P2 -","- C20 H44 Cu F12 N4 O8 P2 -","- C40 H88 Cu2 F24 N8 O16 P4 -","2","0.125","BT6104","Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng","Tetrakis(trimethylammonioacetato-<i>O</i>)copper(II) bis(hexafluorophosphate)","Acta Crystallographica Section E","2002","58","2","m61","m62","10.1107/S1600536802001459","","","0.71073","MoKα","","0.0297","0.027","","","0.0689","0.0706","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200834","8.2657","0.0009","12.053","0.001","11.338","0.001","90","","94.06","0.01","90","","1126.73","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Dibromo-tetrakis(4-methylimidazole)copper(II)]","","","- C16 H24 Br2 Cu N8 -","- C16 H24 Br2 Cu N8 -","- C32 H48 Br4 Cu2 N16 -","2","0.5","BT6105","Näther, Christian; Wriedt, Mario; Jeß, Inke","Dibromotetrakis(4-methylimidazole)copper(II)","Acta Crystallographica Section E","2002","58","2","m63","m64","10.1107/S1600536802001629","","","0.71073","MoKα","","0.0839","0.0382","","","0.0916","0.1039","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200835","13.1739","0.0012","9.6928","0.0009","21.137","0.002","90","","104.51","0.002","90","","2612.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","L4chlorideCuCl2","","","- C10 H7 Cl3 Cu N2 S -","- C10 H7 Cl3 Cu N2 S -","- C80 H56 Cl24 Cu8 N16 S8 -","8","1","BT6107","Blake, Alexander J.; George, Michael W.; Hubberstey, Peter; Lopez Garcia, Roberto; Wilson, Claire","Dichloro[2-chloro-6-(mercaptopyridin-2-yl)pyridine]copper(II)","Acta Crystallographica Section E","2002","58","3","m96","m98","10.1107/S1600536802002118","","","0.71073","MoKα","","0.0331","0.0287","","","0.0692","0.0714","","","","","","1.037","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2200836","11.935","0.003","4.9785","0.001","22.151","0.009","90","","99.43","0.04","90","","1298.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Bromophenyl 2,6-dibromophenyl ether","","- C12 H7 Br3 O -","- C12 H7 Br3 O -","- C48 H28 Br12 O4 -","4","1","BT6108","Eriksson, Johan; Eriksson, Lars; Hu, Jiwei","4-Bromophenyl 2,6-dibromophenyl ether","Acta Crystallographica Section E","2002","58","3","o263","o265","10.1107/S1600536802002301","","","0.71073","MoKα","","0.105","0.0392","","","0.0542","0.0598","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200837","10.057","0.004","12.888","0.005","15.236","0.007","100.64","0.03","94.41","0.03","106.84","0.03","1839.7","1.4","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","Tris(pentafluorophenyl)-(2-diphenylphosphinethiophenyl)- gold(III) Dichloromethane Solvate","","- C37 H17 Au Cl2 F15 P S -","- C37 H17 Au Cl2 F15 P S -","- C74 H34 Au2 Cl4 F30 P2 S2 -","2","1","BT6109","Jones, Peter G.; Terroba, Raquel; Fernández, Eduardo; Laguna, Mariano","Tris(pentafluorophenyl)[2-(diphenylphosphino)thiophenol-κ<i>P</i>]gold(III) dichloromethane solvate","Acta Crystallographica Section E","2002","58","3","m90","m92","10.1107/S1600536802002404","","","0.71073","MoKα","","0.0371","0.0316","","","0.0692","0.0722","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200838","12.4268","0.0012","18.8782","0.0016","19.5576","0.0016","82.98","0.01","77.686","0.01","82.656","0.01","4424.4","0.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C160 H170 Fe10 O40 -","- C160 H170 Fe10 O40 -","- C160 H170 Fe10 O40 -","1","0.5","BT6110","Kooijman, Huub; Spek, Anthony L.; Bouwman, Elisabeth; Miccichè, Fabrizio; Warzeska, Sabine T.; Reedijk, Jan","<i>cyclo</i>-Decakis(μ-2,2-diphenylacetato-<i>O,O</i>')dodecakis(μ-methoxo)decairon(III)) mixed solvate","Acta Crystallographica Section E","2002","58","3","m93","m95","10.1107/S1600536802002465","","","0.71073","MoKα","","0.1546","0.078","","","0.1559","0.1731","","","","","","1.112","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200839","4.644","0.002","16.278","0.006","6.037","0.002","90","","96.12","0.03","90","","453.8","0.3","178","2","178","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 -","- C10 H14 -","- C20 H28 -","2","0.5","BT6111","Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Stamm, Reiner","2,7-Dimethylocta-2,3,5,6-tetraene","Acta Crystallographica Section E","2002","58","3","o277","o278","10.1107/S1600536802002696","","","0.71073","MoKα","","0.0534","0.0413","","","0.1085","0.1206","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200840","9.891","0.002","10.613","0.002","13.063","0.003","94.854","0.013","100.87","0.02","116.933","0.013","1177.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Dibromo-tetrakis(4-methylimidazole)copper(II) dihydrate","","","- C16 H28 Br2 Cu N8 O2 -","- C16 H27.6 Br2 Cu N8 O2 -","- C32 H55.2 Br4 Cu2 N16 O4 -","2","1","BT6112","Näther, Christian; Wriedt, Mario; Jeß, Inke","Dibromotetrakis(4-methylimidazole)copper(II) dihydrate","Acta Crystallographica Section E","2002","58","3","m107","m109","10.1107/S1600536802002799","","","0.71073","MoKα","","0.0926","0.0425","","","0.098","0.1111","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200841","15.827","0.006","9.442","0.002","11.423","0.004","90","","119.34","0.02","90","","1488.1","0.9","178","2","178","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","0.5","BT6113","Jones, Peter G.; Hopf, Henning; Hillmer, Jörg","4,13-Diacetyl-[2.2]paracyclophane","Acta Crystallographica Section E","2002","58","3","o300","o302","10.1107/S1600536802002933","","","0.71073","MoKα","","0.0553","0.0448","","","0.1213","0.1336","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200842","11.727","0.005","11.25","0.005","12.104","0.005","90","0.005","112.957","0.005","90","0.005","1470.4","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,7,7,8,10-Pentabromo-7,8-dihydro-benzocyclooctene","","- C12 H7 Br5 -","- C12 H7 Br5 -","- C48 H28 Br20 -","4","1","BT6114","İsmail Çelik; Ahmet Tutar; Mehmet Akkurt; Yusuf Özcan; Osman Çakmak","5,7,7,8,10-Pentabromo-7,8-dihydrobenzocyclooctene","Acta Crystallographica Section E","2002","58","3","o314","o316","10.1107/S1600536802003112","","","0.71073","MoKα","","0.1515","0.0431","","","0.0836","0.107","","","","","","0.972","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200843","9.26","0.002","12.145","0.002","8.261","0.001","98.02","0.01","101.89","0.01","103.68","0.01","865.8","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Mo2 N2 O11 -","- C12 H14 Mo2 N2 O11 -","- C24 H28 Mo4 N4 O22 -","2","1","CF6131","Okabe, Nobuo; Noriko Isomoto; Mamiko Odoko","A dinuclear oxomolybdenum(V) compound with picolinate ligands","Acta Crystallographica Section E","2002","58","1","m1","m3","10.1107/S160053680102058X","","","0.7107","MoKα","","","0.0249","","","","0.1081","","","","","","0.921","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200844","9.7236","0.0009","6.2851","0.0008","10.517","0.002","90","","95.691","0.005","90","","639.57","0.16","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","3,5-lutidine","3,5-dimethylpyridine","","- C7 H9 N -","- C7 H9 N -","- C28 H36 N4 -","4","0.5","CF6133","Bond, Andrew D.; Davies, John E.","3,5-Lutidine","Acta Crystallographica Section E","2002","58","1","o5","o7","10.1107/S1600536801020426","","","0.7107","MoKα","","0.0963","0.0688","","","0.1914","0.2139","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200845","9.608","0.002","12.423","0.003","14.549","0.004","90","","107.47","0.01","90","","1656.5","0.7","168","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H50 Cd Cl N4 O11.5 -","- C27 H50 Cd Cl N4 O11.5 -","- C54 H100 Cd2 Cl2 N8 O23 -","2","1","CF6134","Smith, Christopher. B.; Lincoln, Stephen. F.; Taylor, Max. R.; Wainwright, Kevin. P.","{Δ-1,4,7,10-Tetrakis[(<i>S</i>)-2-hydroxypropyl-κ<i>O</i>]-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>}cadmium(II) salicylate perchlorate hemihydrate","Acta Crystallographica Section E","2002","58","1","m33","m35","10.1107/S1600536801021316","","","0.71073","MoKα","","","0.037","","","","0.061","","","","","","1.418","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2200846","7.0256","0.0001","12.5288","0.0002","14.8003","0.0004","90","","94.3527","0.0009","90","","1299","0.04","291","1","291","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","1","CF6135","Jovanovic, Jovan; Elling, Wilhelm; Schürmann, Markus; Preut, Hans; Spiteller, Michael","Spiro[1,1a,6,6a-Tetrahydrocyclopropa[<i>a</i>]indene-1,1'-2',3'-dihydro-1'<i>H</i>-indene]","Acta Crystallographica Section E","2002","58","1","o67","o68","10.1107/S160053680102116X","","","0.71073","MoKα","","0.0749","0.0456","","","0.1317","0.1403","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200847","8.5321","0.0003","12.0941","0.0004","16.6243","0.0006","70.7225","0.0014","85.0894","0.0014","71.5179","0.0014","1535.38","0.09","291","1","291","1","","","","","","","","5","P 1","P 1","1","","","","- C29 H35 Cl O9 S2 -","- C29 H35 Cl O9 S2 -","- C58 H70 Cl2 O18 S4 -","2","2","CF6136","Linker, Manuela; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","3-(7,7-Dimethyl-2-oxobicyclo[2.2.1.]hept-1-ylmethanesulfonyloxy)-2-methyl-2-(toluene-4-sulfonyloxymethyl)propyl 4-chlorobenzoate","Acta Crystallographica Section E","2002","58","1","o72","o73","10.1107/S1600536801021420","","","0.71073","MoKα","","0.1026","0.0379","","","0.0682","0.0782","","","","","","0.841","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200848","7.8522","0.0016","9.4124","0.0009","10.9151","0.0017","106.85","0.011","94.395","0.015","99.697","0.013","754.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","di(chloro)(hexahapto-para-cymene)(dimethylsulphoxide)ruthenium (II)","","- C12 H20 Cl2 O Ru S -","- C12 H20 Cl2 O Ru S -","- C24 H40 Cl4 O2 Ru2 S2 -","2","1","CF6137","Chandra, Manish; Pandey, D.Shankar; Puerta, M. Carmen; Valerga, Pedro","A <i>p</i>-cymene-ruthenium(II)‒DMSO complex, [(η^6^-<i>C</i>~10~H~14~)RuCl~2~(DMSO)]","Acta Crystallographica Section E","2002","58","1","m28","m29","10.1107/S1600536801021237","","","0.71073","MoKα","","0.0381","0.0329","","","0.0886","0.0901","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200849","11.823","0.002","8.191","0.002","13.894","0.003","90","","106.05","0.01","90","","1293.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","CF6138","De Simone, C. A.; Malta, V. R. S.; Pereira, M.A.; Bispo, J.R.S.; Pinto, A.V.; Pinto, M.C.F.R","3-Bromo-β-lapachone","Acta Crystallographica Section E","2002","58","3","o296","o297","10.1107/S1600536802001265","","","0.7107","MoKα","","0.0452","0.0385","","","0.102","0.1141","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200850","6.1632","0.0002","9.1891","0.0003","15.9231","0.0005","98.913","0.001","90.664","0.001","97.328","0.001","883.17","0.05","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","threo-2-(2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1,3-propanediol","","- C19 H24 O7 -","- C19 H24 O7 -","- C38 H48 O14 -","2","1","CF6139","Langer, Vratislav; Lundquist, Knut; Stomberg, Rolf; von Unge, Sverker","<i>threo</i>-2-(2,6-Dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1,3-propanediol","Acta Crystallographica Section E","2002","58","2","o90","o92","10.1107/S1600536801021869","","","0.71073","MoKα","","0.093","0.0506","","","0.1033","0.1226","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200851","9.305","0.009","10.101","0.002","17.454","0.002","90","","90","","90","","1640.5","1.6","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","N,N-Dimethyl-N',N''-bis(4-methylphenyl)phosphoramidate","","- C16 H22 N3 O P -","- C16 H22 N3 O P -","- C64 H88 N12 O4 P4 -","4","0.5","CF6140","Gholivand, Khodayar; Tadjarodi, Azadeh; Ng, Seik Weng","<i>N,N</i>-Dimethyl-<i>N</i>',<i>N</i>''-bis(4-methylphenyl)phosphoramidate","Acta Crystallographica Section E","2002","58","2","o200","o201","10.1107/S1600536802001587","","","0.71073","MoKα","","0.1043","0.0509","","","0.1297","0.1562","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200852","9.8136","0.0016","12.485","0.002","11.9359","0.0019","90","","103.61","0.014","90","","1421.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O3 S2 -","- C13 H17 N O3 S2 -","- C52 H68 N4 O12 S8 -","4","1","CF6141","Hansen, Lars Kr.; Bayer, Annette; Gautun, Odd R.","(1<i>R</i>*,3<i>R</i>*,6<i>S</i>*)-3,6-Dihydro-3,6-dimethyl-2-(toluene-4-sulfonyl)-1λ^4^,2-thiazine 1-oxide","Acta Crystallographica Section E","2002","58","2","o198","o199","10.1107/S1600536802001320","","","0.71069","MoKα","","0.0431","0.0384","","","0.1127","0.1171","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200853","4.1741","0.0004","4.7239","0.0006","13.5066","0.0015","85.974","0.001","81.463","0.007","74.652","0.006","253.85","0.05","150","2","150","2","","","","","","","","2","P -1","-P 1","2","n-decane","n-decane","","- C10 H22 -","- C10 H22 -","- C10 H22 -","1","0.5","CF6142","Bond, Andrew D.; Davies, John E.","<i>n</i>-Decane","Acta Crystallographica Section E","2002","58","2","o196","o197","10.1107/S1600536802001332","","","0.71073","MoKα","","0.0682","0.0541","","","0.1676","0.1807","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200854","12.4152","0.0011","5.3266","0.0002","13.8046","0.0012","90","","114.533","0.003","90","","830.49","0.11","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyromellitic diimide / dimethylsulfoxide (1/2)","","","- C14 H16 N2 O6 S2 -","- C14 H16 N2 O6 S2 -","- C28 H32 N4 O12 S4 -","2","0.5","CF6143","Bond, Andrew D.","A 1:2 complex of pyromellitic diimide and dimethyl sulfoxide","Acta Crystallographica Section E","2002","58","2","o194","o195","10.1107/S1600536802001162","","","0.7107","MoKα","","0.0752","0.0454","","","0.0981","0.1075","","","","","","1.119","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200855","18.344","0.003","19.129","0.006","22.252","0.005","90","","100.5","0.03","90","","7678","3","150","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 B O3 Sn2 -","- C43 H31 B O3 Sn2 -","- C344 H248 B8 O24 Sn16 -","8","1","CF6144","Coles, Simon J.; Hibbs, David E.; Hursthouse, Michael B.; Beckett, Michael A.; Owen, Paul; Varma, K. Sukumar","Bis(triphenylstannyl)borate toluene solvate","Acta Crystallographica Section E","2002","58","2","m65","m67","10.1107/S1600536802001642","","","0.71069","MoKα","","","0.0326","","","0.0717","0.078","","","","","","0.877","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200856","16.4925","0.0004","7.2697","0.0002","19.2129","0.0006","90","","109.412","0.0018","90","","2172.59","0.11","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ-1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane- κ^4^N^1^,N^17^:N^7^,N^11^)bis[dichlorozinc(II)]","","- C12 H28 Cl4 N4 O4 Zn2 -","- C12 H28 Cl4 N4 O4 Zn2 -","- C48 H112 Cl16 N16 O16 Zn8 -","4","0.5","CF6145","Kuksa, Vladimir A.; Wardell, Solange M. S. V; Lin, Paul Kong Thoo; Howie, R. Alan","Rerefinement of (μ-1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane-κ^4^<i>N</i>^1^,<i>N</i>^17^:<i>N</i>^7^,<i>N</i>^11^)bis[dichlorozinc(II)]","Acta Crystallographica Section E","2002","58","2","m68","m69","10.1107/S1600536802001654","","","0.71073","MoKα","","0.0403","0.031","","","0.0785","0.0841","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200857","6.979","0.004","13.153","0.007","9.283","0.004","90","","104.73","0.04","90","","824.1","0.8","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetramethylguanidinium chloride","","- C5 H14 Cl N3 -","- C5 H14 Cl N3 -","- C20 H56 Cl4 N12 -","4","1","CF6146","Fischer, Axel K.; Jones, Peter G.","Tetramethylguanidinium chloride","Acta Crystallographica Section E","2002","58","3","o218","o219","10.1107/S1600536802001800","","","0.71073","MoKα","","0.028","0.0249","","","0.0624","0.0645","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200858","7.4288","0.0003","13.1426","0.0005","10.2527","0.0003","90","","102.248","0.0018","90","","978.23","0.06","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","2,6,12,16-Tetraaza-1,7,11,17-tetraoxacycloicosane-diaquanickel(II) dichloride","","- C12 H32 Cl2 N4 Ni O6 -","- C12 H32 Cl2 N4 Ni O6 -","- C24 H64 Cl4 N8 Ni2 O12 -","2","0.5","CF6147","Kuksa, Vladimir A.; Wardell, Solange M. S. V; Lin, Paul Kong Thoo; Howie, R. Alan","Further refinement of diaqua(1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane-<i>N,N</i>',<i>N</i>'',<i>N</i>''')nickel(II) dichloride","Acta Crystallographica Section E","2002","58","3","m74","m76","10.1107/S1600536802001915","","","0.71073","MoKα","","0.0282","0.0246","","","0.0613","0.0631","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2200859","8.425","0.002","10.504","0.001","17.674","0.004","73.04","0.01","78.82","0.01","88.59","0.01","1466.8","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-diethylphosphido)heptacarbonyl- α-ethoxybenzylidene-di-rhenium","","- C24 H30 O8 P2 Re2 -","- C24 H30 O8 P2 Re2 -","- C48 H60 O16 P4 Re4 -","2","1","CF6148","Flörke, Ulrich; Petters, Dina","Heptacarbonyl(α-ethoxybenzylidene)di-μ-diethylphosphidodirhenium","Acta Crystallographica Section E","2002","58","3","m88","m89","10.1107/S1600536802002258","","","0.71073","MoKα","","0.0556","0.0377","","","0.0868","0.0958","","","","","","0.983","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200860","15.096","0.008","13.585","0.008","8.58","0.004","90","","94.13","0.05","90","","1755","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(2-aminopyrimidine)copper(II) acetate","catena-Poly[[tetrakis(μ-acetato-κO:κO')dicopper(II)]-μ-2-aminopyrimidine- κ^2^N:N']","","- C12 H17 Cu2 N3 O8 -","- C12 H17 Cu2 N3 O8 -","- C48 H68 Cu8 N12 O32 -","4","0.5","CF6150","Blake, Alexander J.; Hubberstey, Peter; Sampson, Claire L.","<i>catena</i>-Poly[[tetrakis(μ-acetato-κ<i>O</i>:κ<i>O</i>')dicopper(II)]-μ-2-aminopyrimidine-κ^2^<i>N</i>:<i>N</i>'] at 150K","Acta Crystallographica Section E","2002","58","3","m99","m101","10.1107/S1600536802002544","","","0.71073","MoKα","","0.0262","0.0237","","","0.061","0.0639","","","","","","1.152","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200861","9.218","0.002","11.891","0.002","14.624","0.002","96.4","0.01","99.89","0.02","102.06","0.02","1526.1","0.5","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","Octacarbonyl-μ-N,N-diethyldithiocarbamato-μ-dicyclohexylphosphido- dirhenium","","- C25 H32 N O8 P Re2 S2 -","- C25 H32 N O8 P Re2 S2 -","- C50 H64 N2 O16 P2 Re4 S4 -","2","1","CF6151","Egold, Hans; Flörke, Ulrich; Klose, Stefanie","Octacarbonyl-μ-dicyclohexylphosphido-μ-<i>N,N</i>-diethyldithiocarbamato-dirhenium","Acta Crystallographica Section E","2002","58","3","m116","m117","10.1107/S1600536802003094","","","0.71073","MoKα","","0.0784","0.0512","","","0.1346","0.1491","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200862","20.9006","0.0008","20.6112","0.0009","12.9921","0.0003","90","","115.135","0.002","90","","5066.9","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,4-lutidine","3,4-dimethylpyridine","","- C7 H9 N -","- C7 H9 N -","- C224 H288 N32 -","32","4","CF6152","Bond, Andrew D.; Davies, John E.","3,4-Lutidine","Acta Crystallographica Section E","2002","58","3","o328","o330","10.1107/S1600536802003379","","","0.7107","MoKα","","0.0831","0.0534","","","0.1187","0.1348","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200863","7.0991","0.0004","7.7279","0.0005","12.39","0.0009","108.139","0.004","92.399","0.004","96.743","0.005","639.26","0.07","150","2","150","2","","","","","","","","3","P -1","-P 1","2","2,5-lutidine","2,5-dimethylpyridine","","- C7 H9 N -","- C7 H9 N -","- C28 H36 N4 -","4","2","CF6153","Bond, Andrew D.; Davies, John E.","2,5-Lutidine","Acta Crystallographica Section E","2002","58","3","o326","o327","10.1107/S1600536802003380","","","0.7107","MoKα","","0.1055","0.0543","","","0.124","0.1448","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200864","5.795","0.001","7.829","0.001","15.82","0.001","90","","93.23","0.01","90","","716.6","0.16","180","2","180","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","α-methylstyrene","isopropenylbenzene","","- C9 H10 -","- C9 H10 -","- C36 H40 -","4","1","CF6154","Bond, Andrew D.; Davies, John E.","α-Methylstyrene","Acta Crystallographica Section E","2002","58","3","o331","o333","10.1107/S1600536802003392","","","0.7107","MoKα","","0.1054","0.0846","","","0.2271","0.2499","","","","","","1.148","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200865","7.848","0.006","7.3951","0.0014","12.834","0.005","90","","90.95","0.04","90","","744.7","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(L-proline) H + perchlorate","Bis(L-proline) H + perchlorate","","- C10 H19 Cl N2 O8 -","- C10 H19 Cl N2 O8 -","- C20 H38 Cl2 N4 O16 -","2","1","CI6056","S. Pandiarajan; B. Sridhar; R. K. Rajaram","Bis(<small>L</small>-proline) hydrogen(1+) perchlorate","Acta Crystallographica Section E","2002","58","1","o74","o76","10.1107/S1600536801021304","","","0.71073","MoKα","","0.066","0.051","","","0.131","0.145","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200866","14.4368","0.0019","16.426","0.002","8.3834","0.0012","90","","90","","90","","1988","0.5","294","2","294","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,6-bis(1-benzimidazolyl)hexane trihydrate","","- C20 H28 N4 O3 -","- C20 H28 N4 O3 -","- C80 H112 N16 O12 -","4","0.5","CI6066","Cai, Yuepeng; Zhou, Zhongyuan; Qiu, Liqin; Kang, Beisheng; Chan, Albert S. C.","1,6-Bis(1-benzimidazolyl)hexane trihydrate","Acta Crystallographica Section E","2002","58","2","o167","o169","10.1107/S1600536802000752","","","0.71073","MoKα","","0.174","0.05","","","0.117","0.155","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200867","11.252","0.002","16.003","0.003","16.801","0.002","90","","90","","90","","3025.3","0.9","295","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pentaacetoxy taxadiene","","","- C30 H42.58 O10.29 -","- C30 H42.58 O10.29 -","- C120 H170.32 O41.16 -","4","1","","Chattopadhyay, Sunil K.; Sharon, Ashoke; Yadav, Umesh; Srivastava, Sachin; Mehta, Vijay K.; Maulik, Prakas R.","A taxane diterpenoid from the heartwood of Taxus wallichiana","Acta Crystallographica Section E","2002","58","2","o154","o155","10.1107/S1600536802000910","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","194389","2020-10-21","18:00:00",""
"2200868","10.124","0.002","7.801","0.003","22.896","0.003","90","","100.39","0.01","90","","1778.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","CI6074","Vijayalakshmi, L.; Radhakrishnan, T. R","Ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate","Acta Crystallographica Section E","2002","58","3","o220","o221","10.1107/S160053680200065X","","","0.71073","MoKα","","0.083","0.069","","","0.185","0.206","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200869","7.3711","0.0005","11.0756","0.0007","20.5014","0.0012","90","","90","","90","","1673.72","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3S)-2-benzyl-3-(nosylamino)butano-4-lactone","","- C17 H16 N2 O6 S -","- C17 H16 N2 O6 S -","- C68 H64 N8 O24 S4 -","4","1","CI6076","Guzei, Ilia A.; Langenhan, Joseph M.; Chung, Yong Jun","(2<i>S</i>,3<i>S</i>)-2-Benzyl-3-(nosylamino)butano-4-lactone","Acta Crystallographica Section E","2002","58","1","o65","o66","10.1107/S1600536801019791","","","0.71073","MoKα","","0.032","0.029","","","0.071","0.073","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200870","9.5695","0.001","11.2104","0.0016","17.537","0.003","108.52","0.03","104.14","0.02","90.25","0.02","1723","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","DL-valinium nitrate","DL-valinium nitrate","","- C5 H12 N2 O5 -","- C5 H12 N2 O5 -","- C40 H96 N16 O40 -","8","4","CI6077","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","<small>DL</small>-Valinium nitrate","Acta Crystallographica Section E","2002","58","2","o95","o97","10.1107/S1600536802000028","","","1.5418","CuKα","","0.071","0.055","","","0.147","0.18","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200871","9.672","0.002","10.219","0.001","9.651","0.002","91.19","0.01","107.18","0.01","72.44","0.02","866.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trimethoprim perchlorate","","","- C14 H19 Cl N4 O7 -","- C14 H19 Cl N4 O7 -","- C28 H38 Cl2 N8 O14 -","2","1","CI6080","Thomas Muthiah, Packianathan; Umadevi, Balakrishnan; Stanley, Nithianantham; Bocelli, Gabriele; Cantoni, Andrea","Hydrogen-bonding patterns in trimethoprim perchlorate [trimethoprim = 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine]","Acta Crystallographica Section E","2002","58","1","o59","o61","10.1107/S1600536801020293","","","0.71069","MoKα","","0.073","0.048","","","0.159","0.168","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200872","14.138","0.001","11.228","0.004","12.97","0.001","90","0.02","96.99","0.01","90","0.02","2043.6","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(dimethyldithiophosphato)osmium(III)","","- C6 H18 O6 Os P3 S6 -","- C6 H18 O6 Os P3 S6 -","- C24 H72 O24 Os4 P12 S24 -","4","0.5","CI6081","Ng, Seik Weng","The space group of tris(dimethyldithiophosphato)osmium(III)","Acta Crystallographica Section E","2002","58","1","m20","m21","10.1107/S160053680102092X","","","0.71073","MoKα","","0.02","0.017","","","0.042","0.043","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200873","14.1212","0.0006","11.1919","0.0008","12.9788","0.0007","90","","97.121","0.004","90","","2035.4","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(dimethyldithiophosphato)ruthenium(III)","","- C6 H18 O6 P3 Ru S6 -","- C6 H18 O6 P3 Ru S6 -","- C24 H72 O24 P12 Ru4 S24 -","4","0.5","CI6082","Ng, Seik Weng","The space group of tris(dimethyldithiophosphato)ruthenium(III)","Acta Crystallographica Section E","2002","58","1","m18","m19","10.1107/S1600536801020931","","","0.71073","MoKα","","0.025","0.023","","","0.063","0.065","","","","","","1.17","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200874","12.5758","0.0003","12.2526","0.0002","11.6563","0.0003","90","","101.14","0.001","90","","1762.23","0.07","95","2","95","2","","","","","","","","6","C 1 2 1","C 2y","5","","Aquabis(2,4'-bipyridine)di(o-sulfobenzimidato)copper(II)","","- C34 H26 Cu N6 O7 S2 -","- C34 H26 Cu N6 O7 S2 -","- C68 H52 Cu2 N12 O14 S4 -","2","0.5","CI6083","Naumov, Panče; Jovanovski, Gligor; Ng, Seik Weng","Aquabis(2,4'-bipyridine)di(<i>o</i>-sulfobenzimidato)copper(II) at 95K","Acta Crystallographica Section E","2002","58","1","m16","m17","10.1107/S1600536801020657","","","0.71073","MoKα","","0.078","0.048","","","0.094","0.104","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200875","8.4663","0.001","22.384","0.002","12.216","0.003","90","","90","","90","","2315","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Hydroxyphenyl)-3-phenyl-2-propenal","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","CI6085","Parthasarathi, V.; Praveen, V. N.; Thamotharan, S.; Vijayalakshmi, L.; Bhaskar, A.","1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2002","58","1","o86","o87","10.1107/S1600536801021328","","","1.5418","CuKα","","0.07","0.044","","","0.109","0.129","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200876","9.3254","0.0011","11.9482","0.0015","8.5578","0.0009","90","","90","","90","","953.53","0.19","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Ammonium 2,7-dimethyl-5-bora-1,4,6,9-tetroxaspiro[4.4]nonane-3,8-dionate","","- C6 H12 B N O6 -","- C6 H12 B N O6 -","- C24 H48 B4 N4 O24 -","4","0.5","CI6086","Angeli Mary, P. A; Dhanuskodi, S; Thamotharan, S; Parthasarathi, V","Ammonium 2,7-dimethyl-5-bora-1,4,6,9-tetroxaspiro[4.4]nonane-3,8-dionate (ammonium borodilactate)","Acta Crystallographica Section E","2002","58","1","o45","o47","10.1107/S160053680102102X","","","1.5418","CuKα","","0.027","0.026","","","0.103","0.103","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200877","7.8675","0.0001","9.0796","0.0002","12.4097","0.0002","109.541","0.001","97.227","0.001","104.427","0.001","787.54","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Acetyl-1,2-dihydro-2-oxo-3-hydroxy-3-(2-chloro-2,3- dihydrobenzofuran-3-yl)-(3H)indole","","- C18 H14 Cl N O4 -","- C18 H14 Cl N O4 -","- C36 H28 Cl2 N2 O8 -","2","1","CI6088","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","1-Acetyl-3-(2-chloro-2,3-dihydrobenzofuran-3-yl)-1,2-dihydro-3-hydroxy-2-oxo-3<i>H</i>-indole","Acta Crystallographica Section E","2002","58","1","o37","o39","10.1107/S1600536801020943","","","0.71073","MoKα","","0.095","0.072","","","0.174","0.194","","","","","","0.92","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200878","12.908","0.002","10.763","0.001","15.784","0.002","90","","110.648","0.011","90","","2052","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(3-(2-isopropyl-5-methylphenoxy)-2-hydroxypropyl-N-(tert-butyl)ammonium oxalate","","- C19 H31 N O6 -","- C19 H31 N O6 -","- C76 H124 N4 O24 -","4","1","CI6089","Vasuki, G.; Thamotharan, S.; Parthasarathi, V.; Ramamurthi, K.; Mohane Coumar, S.; Jindal, D. P.","<i>N</i>-(<i>tert</i>-Butyl)-<i>N</i>-[2-hydroxy-3-(2-isopropyl-5-methylphenoxy)propyl]ammonium hydrogen oxalate","Acta Crystallographica Section E","2002","58","2","o93","o94","10.1107/S1600536802000089","","","1.5418","CuKα","","0.059","0.05","","","0.149","0.157","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200879","6.031","0.001","10.2147","0.001","19.0691","0.001","74.759","0.01","89.109","0.01","76.871","0.01","1102.6","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diisopropyl 2-(2-benzoyl-1-phenylethyl)malonate","","- C24 H28 O5 -","- C24 H28 O5 -","- C48 H56 O10 -","2","1","CI6092","Jeyabharathi, A.; Ponnuswamy, M. N.; Narasimhan, S.; Velmathi, S.","Diisopropyl 2-(2-benzoyl-1-phenylethyl)malonate","Acta Crystallographica Section E","2002","58","3","o334","o335","10.1107/S1600536802000739","","","1.54178","CuKα","","0.106","0.047","","","0.117","0.142","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200880","22.2686","0.0003","9.2463","0.0002","9.1349","0.0002","90","","90","","90","","1880.9","0.06","183","2","183","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1-(3,4,6-tricyanophenyl)-4-phenyl-1,2,3,4-tetrahydronaphthalene","","- C25 H17 N3 -","- C25 H17 N3 -","- C100 H68 N12 -","4","1","CI6094","Yan Zhang; Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Jian-Hua Xu","4-Phenyl-1-(2,4,5-tricyanophenyl)-1,2,3,4-tetrahydronaphthalene","Acta Crystallographica Section E","2002","58","2","o132","o133","10.1107/S1600536802000399","","","0.71073","MoKα","","0.059","0.047","","","0.1","0.104","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200881","15.3572","0.0002","8.0212","0.0002","26.7363","0.0002","90","","91.648","0.001","90","","3292.1","0.1","183","2","183","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-[(diphenylmethylene)amino]phthalonitrile","","- C21 H13 N3 -","- C21 H13 N3 -","- C168 H104 N24 -","8","1","CI6095","J. Z. Tian; Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","3-[(Diphenylmethylene)amino]phthalonitrile","Acta Crystallographica Section E","2002","58","2","o151","o153","10.1107/S1600536802000831","","","0.71073","MoKα","","0.098","0.058","","","0.121","0.133","","","","","","0.86","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200882","9.2925","0.0004","10.8655","0.0003","16.7229","0.0005","90","","90.367","0.002","90","","1688.44","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Amino-4'-(N,N-diethylamino)-5-methylbiphenyl-2,4-dicarbonitrile","","- C19 H20 N4 -","- C19 H20 N4 -","- C76 H80 N16 -","4","1","CI6096","A. Subbiah Pandi; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; V. Raghukumar","A monoclinic polymorph of 3-amino-4'-(<i>N,N</i>-diethylamino)-5-methylbiphenyl-2,4-dicarbonitrile","Acta Crystallographica Section E","2002","58","3","o222","o223","10.1107/S1600536802001745","","","0.71073","MoKα","","0.212","0.068","","","0.135","0.185","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200883","5.7407","0.0006","13.0939","0.0014","22.846","0.002","90","","90","","90","","1717.3","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-3-Methyl-2-(p-methylphenylsulfonylamino)-1-phenylbutan-1-ol","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","CI6097","Li, Xingshu; Jia, Xian; Zhou, Zhongyuan","(1<i>R</i>,2<i>S</i>)-3-Methyl-2-(<i>p</i>-methylphenylsulfonylamino)-1-phenylbutan-1-ol","Acta Crystallographica Section E","2002","58","3","o232","o234","10.1107/S1600536802002222","","","0.71073","MoKα","","0.094","0.045","","","0.078","0.089","","","","","","0.89","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200884","7.238","0.0014","8.415","0.0017","10.303","0.002","106.5","0.03","97.5","0.03","95.8","0.03","590.2","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","DL-valinium trichloroacetate","DL-valinium trichloroacetate","","- C7 H12 Cl3 N O4 -","- C7 H12 Cl3 N O4 -","- C14 H24 Cl6 N2 O8 -","2","1","CI6100","Rajagopal, K.; Krishnakumar, R. V.; Subha Nandhini, M.; Mostad, A.; Natarajan, S.","<small>DL</small>-Valinium trichloroacetate at 123K","Acta Crystallographica Section E","2002","58","3","o279","o281","10.1107/S1600536802002751","","","0.71073","MoKα","","0.037","0.033","","","0.08","0.083","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200885","9.3175","0.0009","12.0263","0.0011","12.1632","0.0012","106.156","0.001","101.177","0.001","107.211","0.001","1192.5","0.2","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","Bis(aquadiphenylmethyltrifluoroacetatotin)‒18-crown-6 (1/1)","","- C42 H54 F6 O12 Sn2 -","- C42 H54 F6 O12 Sn2 -","- C42 H54 F6 O12 Sn2 -","1","0.5","CI6102","Amini, Mostafa M.; Yousefi, Mohammad; Ng, Seik Weng","Bis(aquamethyldiphenyltrifluoroacetatotin)‒18-crown-6 (1/1)","Acta Crystallographica Section E","2002","58","3","m118","m120","10.1107/S1600536802003124","","","0.71073","MoKα","","0.086","0.06","","","0.14","0.155","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200886","9.996","0.005","13.622","0.004","8.616","0.003","90","","90.3","0.01","90","","1173.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Dichlorobis(DL-alanine)zinc(II)","Dichlorobis(DL-alanine)zinc(II)","","- C6 H14 Cl2 N2 O4 Zn -","- C6 H14 Cl2 N2 O4 Zn -","- C24 H56 Cl8 N8 O16 Zn4 -","4","1","CI6103","M.Subha Nandhini; R.V. Krishnakumar; S.Natarajan","Dichlorobis(<small>DL</small>-alanine)zinc(II)","Acta Crystallographica Section E","2002","58","3","m127","m129","10.1107/S1600536802003148","","","1.5418","CuKα","","0.04","0.04","","","0.114","0.114","","","","","","1.15","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200887","8.9014","0.0007","13.7809","0.0011","18.891","0.0015","90","","90","","90","","2317.3","0.3","295","2","295","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","bis(pyrazine-2-caboxamide)bis(trifluoromethanesulphonato)copper(II) monohydrate","","- C12 H12 Cu F6 N6 O9 S2 -","- C12 H12 Cu F6 N6 O9 S2 -","- C48 H48 Cu4 F24 N24 O36 S8 -","4","0.5","CM6000","Kristiansson, Olof","Bis(pyrazine-2-carboxamide)bis(trifluoromethanesulfonato)copper(II) monohydrate","Acta Crystallographica Section E","2002","58","3","m130","m132","10.1107/S1600536802003252","","","0.71073","MoKα","","0.0517","0.0367","","","0.1003","0.105","","","","","","0.887","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200888","31.838","0.002","5.208","0.001","11.117","0.003","90","0.05","108.06","0.04","90","0.05","1752.5","0.7","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","m-carboxy phenyl ammonium nitrate","","- C7 H8 N2 O5 -","- C7 H8 N2 O5 -","- C56 H64 N16 O40 -","8","1","CV6075","Benali-Cherif, Noureddine; Cherouana, Aouatef; Bendjeddou, Lamia; Merazig, Hocine; Bendheif, Leulmi; Bouchouit, Karim","<i>m</i>-Carboxyphenylammonium nitrate","Acta Crystallographica Section E","2002","58","2","o156","o157","10.1107/S1600536802000557","","","0.71073","MoKα","","0.073","0.04","","","0.057","0.057","","","","","","1.134","","","","has coordinates,has Fobs","192027","2020-10-21","18:00:00",""
"2200889","8.517","0.002","8.902","0.004","14.513","0.004","106.49","0.04","90.17","0.05","92.76","0.04","1053.7","0.6","294","","","","","","","","","","","5","P -1","-P 1","2","","p-Carboxyphenyl ammonium dihydrogenmonophosphate hydrate","","- C7 H12 N O7 P -","- C7 H12 N O7 P -","- C28 H48 N4 O28 P4 -","4","2","CV6076","Benali-Cherif, Nourredine; Abouimrane, Ali; Sbai, Kacem; Merazig, Hocine; Cherouana, Aouatef; Bendjeddou, Lamia","<i>p</i>-Carboxyphenylammonium dihydrogenmonophosphate monohydrate","Acta Crystallographica Section E","2002","58","2","o160","o161","10.1107/S1600536802001022","","","0.71073","MoKα","","0.039","0.039","","","0.058","0.058","","","","","","1.142","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200890","7.4939","0.0006","9.6449","0.0008","12.1632","0.0009","84.559","0.002","84.522","0.002","68.944","0.002","814.95","0.11","293","2","294","2","","","","","","","","3","P -1","-P 1","2","","4,6-Dimethylquinoline-2-[N-(2,4-dimethylphenyl)formimidoyl]","","- C20 H20 N2 -","- C20 H20 N2 -","- C40 H40 N4 -","2","1","CV6081","Aygün, Muhittin; Öztürk, Sema; Aydog̃an, Feray","4,6-Dimethyl-2-(2,4-dimethylphenyliminomethyl)quinoline","Acta Crystallographica Section E","2002","58","2","o158","o159","10.1107/S1600536802000788","","","0.71073","MoKα","","0.1121","0.0631","","","0.1536","0.1903","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200891","13.473","0.002","6.134","0.001","13.785","0.003","90","","109.51","0.02","90","","1073.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(L-tyrosinium)sulfate monohydrate","Bis(L-tyrosinium)sulfate monhydrate","","- C18 H26 N2 O11 S -","- C18 H26 N2 O11 S -","- C36 H52 N4 O22 S2 -","2","1","CV6082","Sridhar, B.; Srinivasan, N.; Rajaram, R. K.","Bis(<small>L</small>-tyrosinium) sulfate monohydrate","Acta Crystallographica Section E","2002","58","2","o211","o214","10.1107/S1600536802001174","","","0.71073","MoKα","","0.0325","0.03","","","0.0826","0.0844","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200892","10.8487","0.0001","12.6944","0.0001","32.6567","0.0003","90","","90","","90","","4497.41","0.07","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dimethyl 1,3-Dichloro-8-phenyl-5-phenylsulfanyl-isoquinoline-6,7-dicarboxylate","","- C25 H17 Cl2 N O4 S -","- C25 H17 Cl2 N O4 S -","- C200 H136 Cl16 N8 O32 S8 -","8","1","CV6083","Hoong-Kun Fun; Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Tarun K. Sarkar; Sankar Basak; Naranjan Panda","Dimethyl 1,3-dichloro-8-phenyl-5-phenylsulfanylisoquinoline-6,7-dicarboxylate","Acta Crystallographica Section E","2002","58","3","o215","o217","10.1107/S1600536802000958","","","0.71073","MoKα","","0.0813","0.0522","","","0.1269","0.1381","","","","","","0.973","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200893","9.639","0.003","12.751","0.003","9.044","0.003","95.76","0.02","110.97","0.02","108.63","0.02","954.2","0.5","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N2 O4 V -","- C21 H16 N2 O4 V -","- C42 H32 N4 O8 V2 -","2","1","CV6084","Okabe, Nobuo; Muranishi, Yasunori; Odoko, Mamiko","Bis(8-hydroxyquinolinato)oxopropoxovanadium(V)","Acta Crystallographica Section E","2002","58","3","m77","m79","10.1107/S1600536802002295","","","0.7107","MoKα","","","0.0527","","","","0.176","","","","","","1.14","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200894","7.9406","0.0001","9.4695","0.0002","31.1671","0.0005","90","","90","","90","","2343.56","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Nitrobenzanilide","N-phenyl-2-nitrobenzamide","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","CV6088","Jackson, Roxanne Jean; Parvez, Masood; Nizami, Shaikh S.; Khan, Reem Y.","<i>N</i>-Phenyl-2-nitrobenzamide, an acridone alkaloid precursor","Acta Crystallographica Section E","2002","58","3","o282","o284","10.1107/S1600536802002489","","","0.71073","MoKα","","0.063","0.042","","","0.115","0.128","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200895","8.3669","0.0002","13.5769","0.0004","25.2554","0.0009","90","","90","","90","","2868.93","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cirsimaritin","(5,4'-Dihydroxy-6,7-dimethoxyflavone)","","- C17 H14 O6 -","- C17 H14 O6 -","- C136 H112 O48 -","8","1","CV6089","Chou, Nancy Hieu-Hong; Parvez, Masood; Ali, Muhammad Shaiq; Ahmed, Shakeel; Ahmed, Waqar","Cirsimaritin","Acta Crystallographica Section E","2002","58","3","o285","o287","10.1107/S1600536802002660","","","0.71073","MoKα","","0.086","0.048","","","0.134","0.157","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200896","9.6687","0.0002","11.2722","0.0003","11.5579","0.0003","78.85","0.002","73.486","0.002","75.86","0.002","1160.66","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N O2 S -","- C30 H25 N O2 S -","- C60 H50 N2 O4 S2 -","2","1","CV6090","Bennani, Brahim; Filalibaba, Bouchra; El-Fazazi, Ahmed; Al Houari, Ghali; Bilit, Najib; Kerbal, Abdelali; El-Bali, Brahim; Bolte, Michael","2',3'-Diphenyl-4'-<i>p</i>-tolylspiro[isothiachroman-3,5'-isoxazolidin]-4(2<i>H</i>)-one","Acta Crystallographica Section E","2002","58","3","o312","o313","10.1107/S1600536802002994","","","0.71073","MoKα","","0.0508","0.0389","","","0.0925","0.0992","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200897","10.2083","0.0002","7.5434","0.0002","11.0118","0.0003","90","","109.677","0.001","90","","798.45","0.03","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","Matricarin","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","CV6091","Parvez, Masood; Ahmad, Viqar Uddin; Farooq, Umar; Jassbi, Amir Reza; Raziullah, Hussaini S.","Matricarin","Acta Crystallographica Section E","2002","58","3","o324","o325","10.1107/S1600536802002982","","","0.71069","MoKα","","0.0385","0.0342","","","0.0894","0.0928","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200899","11.937","0.003","14.74","0.004","12.085","0.003","90","","92.436","0.005","90","","2124.5","0.9","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O3 -","- C23 H26 N4 O3 -","- C92 H104 N16 O12 -","4","1","CV6093","Merz, Klaus","4,4'-Methylenediantipyrine monohydrate","Acta Crystallographica Section E","2002","58","3","o338","o340","10.1107/S1600536802003331","","","0.71073","MoKα","","0.0574","0.047","","","0.1217","0.1297","","","","","","1.031","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200900","10.552","0.005","12.833","0.005","15.432","0.011","95.53","0.02","106.57","0.02","97.02","0.02","1968.9","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5-(4-chlorophenyl)-1-methylimidazole","","- C10 H10 Cl N3 -","- C10 H10 Cl N3 -","- C80 H80 Cl8 N24 -","8","4","DN6007","Rybakov, Victor B.; Babaev, Eugene V.; Belykh, Eugene N.","2-Amino-5-(4-chlorophenyl)-1-methylimidazole","Acta Crystallographica Section E","2002","58","2","o126","o128","10.1107/S1600536802000284","","","0.71073","MoKα","","","0.0513","","","","0.1333","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200901","8.111","0.002","5.732","0.001","24.235","0.005","90","","93.51","0.03","90","","1124.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-3-nitro-8H-furo[2,3-g][1]-benzopyran-8-one","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","DN6010","Wolska, Irena; Kossakowski, Jerzy","2,6-Dimethyl-3-nitro-8<i>H</i>-furo[2,3-<i>g</i>][1]benzopyran-8-one","Acta Crystallographica Section E","2002","58","1","o40","o41","10.1107/S1600536801019699","","","0.71073","MoKα","","0.0793","0.0692","","","0.1613","0.1679","","","","","","1.129","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200902","12.1894","0.0007","8.9921","0.0003","13.0425","0.0008","90","","107.97","0.01","90","","1359.83","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 N O7 S -","- C27 H35 N O7 S -","- C54 H70 N2 O14 S2 -","2","1","DN6011","Garzino, Frédéric; Méou, Alain; Brun, Pierre; Pèpe, Gérard","(2<i>R</i>,3<i>R</i>)-2-(4-Methoxyphenyl)-3-{1-[(3a<i>S</i>)-(3aα,6α,7aα)-hexahydro-8,8-dimethyl-3<i>H</i>-3a,6-methano-2,2-dioxo-2,1-benzoisothiazolyl]carbonyl}-4-isopropoxycarbonyl-5-methyl-2,2-dihydrofuran","Acta Crystallographica Section E","2002","58","3","o310","o311","10.1107/S1600536802000971","","","0.71069","MoKα","","0.0775","0.0571","","","0.119","0.1275","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200903","10.147","0.002","10.938","0.002","17.681","0.003","90","0.003","92.65","0.03","90","0.03","1960.3","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","DN6012","Garzino, Frédéric; Méou, Alain; Brun, Pierre; Pèpe, Gérard","(1<i>S</i>,2<i>R</i>)-<i>N</i>-[(<i>E</i>)-4-Methoxycinnamoyl]-10,2-camphorsultam","Acta Crystallographica Section E","2002","58","3","o308","o309","10.1107/S160053680200096X","","","0.71069","MoKα","","0.046","0.0403","","","0.0992","0.1027","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200904","12.9064","0.0005","15.6222","0.0006","9.914","0.0004","90","","109.837","0.001","90","","1880.31","0.13","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","erythro-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1,3- propanediol","","- C19 H24 O8 -","- C19 H24 O8 -","- C76 H96 O32 -","4","1","DN6014","Langer, Vratislav; Li, Shiming; Lundquist, Knut","<i>erythro</i>-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-propanediol","Acta Crystallographica Section E","2002","58","1","o42","o44","10.1107/S1600536801021146","","","0.71073","MoKα","","0.0912","0.0565","","","0.1163","0.1333","","","","","","1.036","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200906","10.065","0.004","10.512","0.016","30.696","0.01","90","","90","","90","","3248","5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2'R,3'R)-methyl 2-azido-2,6-dideoxy-3,4-O-(2',3'-dimethoxybutane- 2',3'-diyl)-α-L-glucopyranoside.","","- C13 H23 N3 O6 -","- C13 H23 N3 O6 -","- C104 H184 N24 O48 -","8","2","DN6016","Barnes, John C.; Brimacombe, John S.; Connolly, Lisa M. C.; Dix, Alexander P.","Methyl (2'<i>R</i>,3'<i>R</i>)-2-azido-2,6-dideoxy-3,4-<i>O</i>-(2',3'-dimethoxybutane-2',3'-diyl)-α-<small>L</small>-glucopyranoside","Acta Crystallographica Section E","2002","58","3","o227","o228","10.1107/S1600536802001940","","","0.71073","MoKα","","0.0657","0.0323","","","0.054","0.0583","","","","","","0.723","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200907","8.7709","0.0003","14.0181","0.001","18.1744","0.0013","90","","90","","90","","2234.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2'R,3'R)-methyl 6-deoxy-3,4-O-(2',3'-dimethoxybutane- 2',3'-diyl)-2-O-toluene-p-sulfonyl-α-L-mannopyranoside","","- C20 H30 O9 S -","- C20 H30 O9 S -","- C80 H120 O36 S4 -","4","1","DN6017","Barnes, John C.; Brimacombe, John S.; Connolly, Lisa M. C.; Dix, Alexander P.","Methyl (2'<i>R</i>,3'<i>R</i>)-6-deoxy-3,4-<i>O</i>-(2',3'-dimethoxybutane-2',3'-diyl)-2-<i>O</i>-toluene-<i>p</i>-sulfonyl-α-<small>L</small>-mannopyranoside","Acta Crystallographica Section E","2002","58","3","o224","o226","10.1107/S1600536802001952","","","0.71073","MoKα","","0.1222","0.0689","","","0.1042","0.1217","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200908","5.7328","0.0001","8.8866","0.0002","22.6889","0.0006","82.7481","0.0008","84.5281","0.0008","88.4739","0.0011","1141.29","0.04","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 N4 -","- C30 H26 N4 -","- C60 H52 N8 -","2","1","DN6019","Evain, Michel; Quillard, Sophie; Corraze, Benoit; Wang, Wei; MacDiarmid, Alan G.","A phenyl-end-capped tetramer of aniline","Acta Crystallographica Section E","2002","58","3","o343","o344","10.1107/S1600536802002532","","","0.71069","MoKα","","0.0809","0.0486","","","0.1051","0.1133","","","","1.8","1.8","1.54","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200909","6.8433","0.0019","15.585","0.009","16.646","0.0012","90","","90","","90","","1775.3","1.1","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","o-Methylselenobenzoyl cyanide","","- C9 H7 N O Se -","- C9 H7 N O Se -","- C72 H56 N8 O8 Se8 -","8","","DN6021","Dupont, Léon; Messali, Mouslim; Christiaens, Léon","<i>o</i>-Methylselenobenzoyl cyanide","Acta Crystallographica Section E","2002","58","3","o341","o342","10.1107/S1600536802003422","","","1.5418","CuKα","","0.0537","0.0415","","","0.1051","0.1106","","","","","","1.008","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200910","6.0696","0.0005","18.0716","0.0009","10.878","0.0008","90","","99.579","0.01","90","","1176.54","0.15","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-N-Phenylacetamido-6H-1,3-thiazin-6-one","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","DN6022","Evain, Michel; Landreau, Cyrille; Deniaud, David; Reliquet, Alain; Meslin, Jean Claude","2-(<i>N</i>-Phenylacetamido)-6<i>H</i>-1,3-thiazin-6-one","Acta Crystallographica Section E","2002","58","3","o288","o289","10.1107/S1600536802002726","","","0.71069","MoKα","","0.0741","0.0451","","","0.1116","0.1191","","","","","","1.65","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200911","5.797","0.001","7.206","0.001","8.068","0.001","97.87","0.01","104.51","0.01","106.55","0.01","304.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- H4 O6 P2 Sr -","- O6 P2 Sr -","- O12 P4 Sr2 -","2","1","MG6000","Ouarsal, Rachid; Alaoui Tahiri, Aziz; El Bali, Brahim; Lachkar, Mohammed; Bolte, Michael","Strontium dihydrogenphosphite","Acta Crystallographica Section E","2002","58","2","i19","i20","10.1107/S1600536802000806","","","0.71073","MoKα","","0.0701","0.0681","","","0.1718","0.1815","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200912","4.9423","0.0007","4.9423","0.0007","9.1251","0.0018","90","","90","","120","","193.03","0.05","293","2","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Ba Bi -","- Ag Ba Bi -","- Ag2 Ba2 Bi2 -","2","0.0833333","MG6001","Kang, Sung Kwon; Miller, Gordon J.","The intermetallic compound BaAgBi","Acta Crystallographica Section E","2002","58","3","i21","i22","10.1107/S1600536802001721","","","0.71073","MoKα","","","0.0375","","","","0.1022","","","","","","1.155","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200913","9.0609","0.0004","14.7671","0.0006","14.8106","0.0006","90","","90","","90","","1981.71","0.14","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H8 Na O10 P3 Zn -","- H8 Na O10 P3 Zn -","- H64 Na8 O80 P24 Zn8 -","8","1","MG6002","Ouarsal, Rachid; Alaoui Tahiri, Aziz; El Bali, Brahim; Lachkar, Mohammed; Harrison, William T. A.","Sodium zinc tris(dihydrogenphosphite) hydrate, NaZn(H~2~PO~3~)~3~·H~2~O","Acta Crystallographica Section E","2002","58","3","i23","i25","10.1107/S1600536802002209","","","0.71073","MoKα","","0.04","0.0249","","","0.0545","0.0574","","","","","","0.943","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200914","16.29","0.003","11.837","0.002","19.426","0.004","90","","104.11","0.03","90","","3632.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9,10-Bis(3-hydroxy-3,3-diphenylprop-1-ynyl)anthracene N,N'dimethylformamide solvate","","- C47 H37 N O3 -","- C47 H37 N O3 -","- C188 H148 N4 O12 -","4","1","NA6077","Sugadev, R.; Balasundaresan, D.; Chacko, K. K.; Ponnuswamy, M. N.; Sureskumar, S.","9,10-Bis(3-hydroxy-3,3-diphenylprop-1-ynyl)anthracene <i>N</i>,<i>N</i>'-dimethylformamide solvate","Acta Crystallographica Section E","2002","58","2","o88","o89","10.1107/S1600536801019845","","","1.54178","CuKα","","0.0653","0.0578","","","0.1691","0.1764","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200915","7.3615","0.0016","21.815","0.005","7.6346","0.0016","90","","91.541","0.005","90","","1225.6","0.5","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-propenyl-2-methyl-1,2-dicarba-closo-dodecaborane(12)","","- C6 H18 B10 -","- C6 H18 B10 -","- C24 H72 B40 -","4","1","NA6109","Grintselev-Knyazev, Gennadii V.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A.","2-Methyl-1-propenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section E","2002","58","1","o16","o17","10.1107/S1600536801020165","","","0.71073","MoKα","","0.0849","0.0569","","","0.1193","0.1279","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200916","10.697","0.003","18.228","0.004","11.202","0.002","90","","115.02","0.02","90","","1979.3","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Dicarboethoxy-3,4-diphenylcyclopentadienone","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","NA6111","Grossie, David A.; Feld, William A.; Reinhardt, Bruce A.; Bernal, David; Dyar, Heather; Khan, Ilyas; Koussa, Jack; Krall, Holly; Kuhr, Ida; Sawyer, Jim","Diethyl 2-oxo-4,5-diphenylcyclopentane-1,3-dicarboxylate","Acta Crystallographica Section E","2002","58","1","o8","o9","10.1107/S1600536801020323","","","0.71069","MoKα","","0.13","0.064","","","0.198","0.219","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200917","10.631","0.003","13.283","0.003","5.214","0.003","90","","90","","90","","736.3","0.5","296.2","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 N4 Ni O6 -","- C12 H14 N4 Ni O6 -","- C24 H28 N8 Ni2 O12 -","2","0.5","NA6112","Odoko, Mamiko; Adachi, Yukari; Okabe, Nobuo","Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]nickel(II)","Acta Crystallographica Section E","2002","58","1","m7","m9","10.1107/S1600536801020335","","","0.7107","MoKα","","","0.0194","","","","0.0573","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200918","13.0859","0.0014","11.4837","0.0013","22.422","0.002","90","","90","","90","","3369.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C152 H136 N24 O24 -","8","1","NA6113","Yu Zhang; Yizhi Li; Hanbin Tao; Longgen Zhu","4-(Antipyrin-4-yliminomethyl)benzoic acid","Acta Crystallographica Section E","2002","58","1","o24","o26","10.1107/S1600536801020207","","","0.71073","MoKα","","0.0889","0.0453","","","0.0714","0.0764","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200919","13.465","0.003","15.135","0.003","9.1558","0.0018","90","","108.86","0.03","90","","1765.7","0.7","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Amino-4-(benzotriazol-1-ylmethyl)-1-phenyl-3-tert-butylpyrazole","","- C20 H22 N6 -","- C20 H22 N6 -","- C80 H88 N24 -","4","1","NA6114","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Rengifo, Emerson; Abonia, Rodrigo","5-Amino-4-(benzotriazol-1-ylmethyl)-1-phenyl-3-<i>tert</i>-butylpyrazole","Acta Crystallographica Section E","2002","58","1","o53","o54","10.1107/S1600536801020670","","","0.71073","MoKα","","0.1414","0.0614","","","0.1229","0.1502","","","","","","0.948","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200920","7.566","0.0003","17.7842","0.0008","10.2284","0.0004","90","","104.689","0.003","90","","1331.3","0.1","120","1","120","1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-(2-Methyl-2,3-dihydro-indol-1-ylmethyl)-1H-benzotriazole","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","2","NA6115","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Abonia, Rodrigo; Albornoz, Andrea","1-(2-Methyl-2,3-dihydroindol-1-ylmethyl)-1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2002","58","1","o55","o56","10.1107/S1600536801020682","","","0.71073","MoKα","","0.1015","0.0598","","","0.1279","0.1455","","","","","","0.979","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200921","5.3389","0.0004","28.583","0.002","9.8618","0.0008","90","","109.178","0.004","90","","1421.41","0.19","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[(6-Chloro-[1,3]benzothiazol-2-ylamino)-methylene]-2,2-dimethyl- [1,3]dioxane-4,6-dione","","- C14 H11 Cl N2 O4 S -","- C14 H11 Cl N2 O4 S -","- C56 H44 Cl4 N8 O16 S4 -","4","1","NA6116","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Hernández, Pedro; Quiroga, Jairo","5-[(6-Chloro-[1,3]benzothiazol-2-ylamino)methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione","Acta Crystallographica Section E","2002","58","1","o57","o58","10.1107/S1600536801020694","","","0.71073","MoKα","","0.1393","0.0544","","","0.0943","0.116","","","","","","0.935","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200922","21.4218","0.0004","7.8864","0.0002","19.7794","0.0004","90","","109.328","0.001","90","","3153.22","0.12","120","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H28 Cl N O7 -","- C11 H28 Cl N O7 -","- C88 H224 Cl8 N8 O56 -","8","1","NA6117","Coles, Simon J.; Hursthouse, Michael B.; Kılıç, Adem; Yenilmez Çiftçi, Gönül","2-Aminomethyl-15-crown[5] hydrochloride dihydrate","Acta Crystallographica Section E","2002","58","1","o83","o85","10.1107/S1600536801021432","","","0.71073","MoKα","","","0.0344","","","","0.0869","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200923","8.652","0.002","17.558","0.004","19.668","0.004","90","","95.42","0.03","90","","2974.4","1.1","295","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Triiodide phthalocyaninato(2-) arsenic(III)","","","- C32 H16 As I3 N8 -","- C32 H16 As I3 N8 -","- C128 H64 As4 I12 N32 -","4","1","NA6120","Jan Janczak; Ynara Marina Idemori","[Phthalocyaninato(2‒)]arsenic(III) triiodide","Acta Crystallographica Section E","2002","58","1","m36","m38","10.1107/S1600536801021365","","","0.71073","MoKα","","0.1239","0.0483","","","0.034","0.0415","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200924","16.603","0.004","8.339","0.003","7.903","0.004","90","","103.76","0.06","90","","1062.8","0.8","290","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl N O4 P -","- C7 H11 Cl N O4 P -","- C28 H44 Cl4 N4 O16 P4 -","4","1","NA6121","Fábry, Jan; Krupková, Radmila; Studnička, Václav","4-Chloro-2-methylanilinium dihydrogenphosphate","Acta Crystallographica Section E","2002","58","2","o105","o107","10.1107/S1600536801021808","","","0.710688","MoKα","","0.1769","0.045","","","0.1117","0.1697","","","","","","0.816","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200925","15.527","0.003","10.648","0.005","13.081","0.005","90","","125.98","0.02","90","","1750.1","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis phenylguanidinium carbonate monohydrate","","- C15 H22 N6 O4 -","- C15 H22 N6 O4 -","- C60 H88 N24 O16 -","4","1","NA6122","Kolev, Tsonko; Todorov, Todor; Petrova, Rosica","Bis(phenylguanidinium) carbonate monohydrate","Acta Crystallographica Section E","2002","58","2","o111","o113","10.1107/S160053680102178X","","","0.71073","MoKα","","0.0781","0.0414","","","0.1097","0.1261","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200926","8.289","0.001","12.117","0.002","19.225","0.003","90","","99.88","0.01","90","","1902.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(2-Acetyl-2-(4-ethoxyphenyl)amino-1-oxoethyl)-1,2,3,4- tetrahydro-2-quinoxalinone","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C80 H84 N12 O16 -","4","1","NA6123","Kruszynski, Rafal; Bartczak, Tadeusz J.; Mikiciuk-Olasik, Elżbieta","4-[(4-Ethoxyphenyl)aminoacetyl]-1,2,3,4-tetrahydroquinoxalin-2-one","Acta Crystallographica Section E","2002","58","2","o98","o101","10.1107/S1600536801021742","","","1.54052","CuKα","","0.1625","0.0742","","","0.2184","0.2477","","","","","","0.962","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200927","14.915","0.002","7.6811","0.001","18.688","0.002","90","","97.36","0.002","90","","2123.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Carbonyl(hydrotris(3,5-dimethylpyrazol-1-yl)borato)copper(I) acetonitrile solvate","Carbonyl(hydrotris(3,5-dimethylpyrazol-1-yl)borato)copper(I) acetonitrile solvate (1/1)","","- C18 H25 B Cu N7 O -","- C18 H25 B Cu N7 O -","- C72 H100 B4 Cu4 N28 O4 -","4","1","NA6124","Blake, Alexander J.; Carling, David A.; George, Michael W.; Hubberstey, Peter; Lopez Garcia, Roberto; Wilson, Claire","Carbonyl[hydrotris(3,5-dimethylpyrazol-1-yl)borato]copper(I) acetonitrile solvate","Acta Crystallographica Section E","2002","58","2","m41","m42","10.1107/S1600536801021730","","","0.71073","MoKα","","0.0843","0.0418","","","0.0968","0.125","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200928","23.6934","0.0004","6.4529","0.0002","19.183","0.0005","90","","114.247","0.001","90","","2674.18","0.12","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Diazabicyclo[2.2.2]octanium 2,4-dinitrophenolate","","- C12 H16 N4 O5 -","- C12 H16 N4 O5 -","- C96 H128 N32 O40 -","8","1","NA6125","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Bo-Long Poh; Chatchanok Karalai","1,4-Diazabicyclo[2.2.2]octanium 2,4-dinitrophenolate","Acta Crystallographica Section E","2002","58","2","o102","o104","10.1107/S1600536801021791","","","0.71073","MoKα","","0.0819","0.0535","","","0.1222","0.1309","","","","","","0.83","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200929","12.3777","0.0003","7.3596","0.0002","22.0064","0.0001","90","","97.886","0.002","90","","1985.71","0.07","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N6 O10 -","- C16 H20 N6 O10 -","- C64 H80 N24 O40 -","4","1","NA6126","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Bo-Long Poh; Chatchanok Karalai","The 1:2 adduct <i>N,N</i>-dimethylethylenediamine-1,4-diium bis(2,4-dinitrophenolate)","Acta Crystallographica Section E","2002","58","2","o108","o110","10.1107/S1600536801021845","","","0.71073","MoKα","","0.119","0.0584","","","0.118","0.1376","","","","","","0.868","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200930","14.7661","0.0003","10.5226","0.0002","16.8753","0.0005","90","","98.8586","0.0007","90","","2590.77","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Octanoic acid derivative of a macrocyclic salicylate","2-[(7R,9S,10R,12E)-4,9-Dihydroxy-10-methyl-5-oxo-7,8,9,10,11,14-hexahydro-5H- 6-oxa-benzocyclododecen-7-yl]ethyl octanoate","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","2","NA6127","Esser, Lothar; De Brabander, Jef K.","2-[(7<i>R</i>,9<i>S</i>,10<i>R</i>,12<i>E</i>)-4,9-Dihydroxy-10-methyl-5-oxo-7,8,9,10,11,14-hexahydro-5<i>H</i>-6-oxa-benzocyclododecen-7-yl]ethyl octanoate","Acta Crystallographica Section E","2002","58","2","o142","o144","10.1107/S1600536802000466","","","0.71069","MoKα","","0.0745","0.0565","","","0.1515","0.1663","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200931","7.2788","0.0001","12.2856","0.0001","27.1499","0.0003","90","","94.313","0.001","90","","2420.99","0.05","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2,7-Triphenyl-1H-naphth[2,1-c]azepine-1,5-dione","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","NA6128","Bao Guo Zhao; Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Jian-Hua Xu","2-Methyl-3,3,10-triphenyl-3,4-dihydronaphth[2,1-<i>c</i>]azepine-1,5-dione","Acta Crystallographica Section E","2002","58","2","o162","o164","10.1107/S1600536802000740","","","0.71073","MoKα","","0.0757","0.0598","","","0.1445","0.151","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200932","12.5439","0.0004","8.3686","0.0002","18.9898","0.0006","90","","106.881","0.001","90","","1907.55","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-Bis(1'-Phenylsulfonyl-3-phenylthioindole-2-yl)ethane","","- C42 H32 N2 O4 S4 -","- C42 H32 N2 O4 S4 -","- C84 H64 N4 O8 S8 -","2","0.5","NA6129","Sethu Sankar, K.; Suresh Babu, N.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, H.-K.","1,2-Bis(1-phenylsulfonyl-3-phenylthioindol-2-yl)ethane","Acta Crystallographica Section E","2002","58","2","o134","o136","10.1107/S1600536802000405","","","0.71073","MoKα","","0.1455","0.0563","","","0.118","0.1442","","","","","","0.928","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200933","9.2852","0.0002","9.5994","0.0004","10.6206","0.0005","67.323","0.001","73.287","0.001","84.761","0.001","836.35","0.06","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","1-Acetyl-2-oxo-4'-methyl-2'a-phenylspiro[3H-indole-3,2'(2'aH,5'aH)oxeto [3,2-d]oxazole]","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","1","NA6130","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","1-Acetyl-2-oxo-4'-methyl-2a'-phenylspiro[3<i>H</i>-indole-3,2'(2a'<i>H</i>,5a'<i>H</i>)-oxeto[3,2-<i>d</i>]oxazole]","Acta Crystallographica Section E","2002","58","2","o145","o147","10.1107/S1600536802000478","","","0.71073","MoKα","","0.082","0.0726","","","0.1847","0.1917","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200934","6.1961","0.0014","13.613","0.004","15.842","0.002","90","","90","","90","","1336.2","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","NA6131","Hansen, Lars Kr.; Bayer, Annette; Gautun, Odd R.","Benzyl (1<i>R</i>*,3<i>S</i>*)-3,6-dihydro-3-methyl-1λ^4^,2-thiazine-2-carboxylate 1-oxide","Acta Crystallographica Section E","2002","58","2","o165","o166","10.1107/S1600536802000880","","","0.71069","MoKα","","0.0535","0.0352","","","0.0985","0.1068","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200935","8.539","0.0007","15.9795","0.0015","9.2826","0.0006","90","","102.007","0.005","90","","1238.89","0.18","293","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H14 Ga N2 O11 P3 -","- C3 H14 Ga N2 O11 P3 -","- C12 H56 Ga4 N8 O44 P12 -","4","0.5","NA6132","Kissick, Judith L.; Chippindale, Ann M.","[NH~3~(CH~2~)~3~NH~3~][Ga(P~2~O~7~)(H~2~PO~4~)]: a new organically templated gallium phosphate-diphosphate","Acta Crystallographica Section E","2002","58","3","m80","m82","10.1107/S1600536802001344","","","1.5418","CuKα","","0.0372","0.0279","","","0.07","0.0743","","","","","","1.112","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200936","8.172","0.0003","9.3069","0.0004","11.845","0.0005","110.015","0.004","93.301","0.004","102.208","0.003","819.01","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetracarbonyl{bis[(pentafluoroethyl)diphenylphosphine]}chromium(0)","","- C32 H20 Cr F10 O4 P2 -","- C32 H20 Cr F10 O4 P2 -","- C32 H20 Cr F10 O4 P2 -","1","0.5","NA6133","Peters, R. Gregory; Golynskiy, Misha V.; Baughman, Russell G.","Tetracarbonylbis[(pentafluoroethyl)diphenylphosphine]chromium(0)","Acta Crystallographica Section E","2002","58","2","m70","m71","10.1107/S1600536802001356","","","0.71073","MoKα","","0.046","0.0348","","0.0941","","0.0869","","","1.049","","","1.079","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200937","14.349","0.002","9.831","0.002","11.685","0.002","90","","90","","90","","1648.3","0.5","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H15 Cl Cu N3 -","- C15 H15 Cl Cu N3 -","- C60 H60 Cl4 Cu4 N12 -","4","0.5","NA6134","Scholz, Stefan; Lerner, Hans-Wolfram; Bolte, Michael","Chlorotripyridinecopper(I)","Acta Crystallographica Section E","2002","58","2","m72","m73","10.1107/S1600536802001630","","","0.71073","MoKα","","0.0697","0.0484","","","0.0693","0.0748","","","","","","0.944","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200938","19.568","0.0019","10.6989","0.001","21.617","0.002","90","","90","","90","","4525.7","0.7","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 N4 O10 Zn2 -","- C48 H48 N4 O10 Zn2 -","- C192 H192 N16 O40 Zn8 -","4","0.5","NA6135","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","Tetrakis(μ-benzoato)bis[(<i>N,N</i>-diethylnicotinamide)zinc(II)]","Acta Crystallographica Section E","2002","58","3","m121","m122","10.1107/S1600536802002088","","","0.71073","MoKα","","0.0303","0.0275","","","0.0701","0.0725","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200939","16.347","0.002","10.7691","0.0013","17.647","0.002","90","","107.207","0.003","90","","2967.6","0.6","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 Ca N4 O14 Zn2 -","- C62 H58 Ca N4 O14 Zn2 -","- C124 H116 Ca2 N8 O28 Zn4 -","2","0.5","NA6136","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","A linear trinuclear CaZn~2~ complex with bridging benzoate ligands","Acta Crystallographica Section E","2002","58","3","m123","m124","10.1107/S160053680200209X","","","0.71073","MoKα","","0.0519","0.0398","","","0.0894","0.0966","","","","","","1.121","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200940","7.0554","0.0007","14.0106","0.0013","8.5228","0.0015","90","","103.444","0.012","90","","819.4","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-pyridylmethylphosphonic acid monohydrate","","- C6 H10 N O4 P -","- C6 H10 N O4 P -","- C24 H40 N4 O16 P4 -","4","1","NA6137","Chęcińska, Lilianna; Małecka, Magdalena; Aranowska, Katarzyna; Ochocki, Justyn","3-Pyridylmethylphosphonic acid monohydrate","Acta Crystallographica Section E","2002","58","3","o235","o237","10.1107/S1600536802002155","","","1.54178","CuKα","","0.0558","0.0522","","","0.143","0.1464","","","","","","1.107","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200941","9.665","0.002","15.394","0.003","19.2","0.004","90","","93.92","0.02","90","","2850","1","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 O5 P -","- C32 H41 O5 P -","- C128 H164 O20 P4 -","4","1","NA6138","Jones, Peter G.; Kirby, Anthony J.; Pilkington, Melanie","2,2,2-Tris(cyclohexyloxy)-4,5-(2',2''-biphenylo)-1,3,2-dioxaphospholene","Acta Crystallographica Section E","2002","58","3","o268","o269","10.1107/S1600536802002398","","","0.71073","MoKα","","0.0745","0.0483","","","0.1027","0.1193","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200942","7.6548","0.0002","15.7782","0.0004","10.9114","0.0004","90","","95.299","0.001","90","","1312.24","0.07","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2,3,5-Trichloro-6-(2-diethylaminovinyl)-1,4-benzoquinone","","- C12 H12 Cl3 N O2 -","- C12 H12 Cl3 N O2 -","- C48 H48 Cl12 N4 O8 -","4","1","NA6139","Krivokapic, Alexander; Anderson, Harry L.","2,3,5-Trichloro-6-(2-diethylaminovinyl)-1,4-benzoquinone","Acta Crystallographica Section E","2002","58","3","o259","o260","10.1107/S1600536802002283","","","0.71073","MoKα","","","0.0256","","","","0.0286","","","","","","1.0234","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200943","12.138","0.004","15.279","0.004","8.763","0.003","90","","107.24","0.03","90","","1552.1","0.9","178","2","178","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 N2 -","- C20 H10 N2 -","- C80 H40 N8 -","4","1","NA6140","Jones, Peter G.; Hopf, Henning; Kreutzer, Martin","3-(Dicyanomethylene)-1,5-diphenylpenta-1,4-diyne","Acta Crystallographica Section E","2002","58","3","o266","o267","10.1107/S1600536802002490","","","0.71073","MoKα","","0.0967","0.0475","","","0.113","0.1378","","","","","","0.899","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200944","9.5892","0.0008","10.8264","0.001","11.3959","0.0009","111.904","0.006","96.814","0.007","100.727","0.007","1055.29","0.17","230","","230","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 B F15 S -","- C22 H8 B F15 S -","- C44 H16 B2 F30 S2 -","2","1","OB6091","Schaper, Frank; Brintzinger, Hans-Herbert","Tetrahydrothiophene tris(pentafluorophenyl)borane","Acta Crystallographica Section E","2002","58","1","o77","o78","10.1107/S160053680102027X","","","0.71073","MoKα","","0.0349","0.0311","","","0.0801","0.0829","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200945","10.4199","0.0015","11.7594","0.0017","17.288","0.003","71.449","0.002","86.811","0.003","86.953","0.003","2003.7","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","2,4,6,8,10,12-hexaaza-2,4,6,8,10,12-hexabenzyl-5-(nitromethylene)- tricyclo[7.3.0.0^3,7^]dodecane","2,4,6,8,10,12-hexaaza-2,4,6,8,10,12-hexabenzyl-5-(nitromethylene)- tricyclo[7.3.0.0^3,7^]dodecane","","- C49 H49 N7 O2 -","- C49 H49 N7 O2 -","- C98 H98 N14 O4 -","2","1","OB6097","Gilardi, Richard D.; Butcher, Ray J.","2,4,6,8,10,12-Hexabenzyl-5-(nitromethylene)-2,4,6,8,10,12-hexaazatricyclo[7.3.0.0^3,7^]dodecane","Acta Crystallographica Section E","2002","58","2","o120","o122","10.1107/S160053680200003X","","","0.71073","MoKα","","0.0859","0.0587","","","0.1087","0.1164","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200946","9.222","0.003","14.768","0.003","12.239","0.003","90","","97.7","0.02","90","","1651.8","0.8","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cd2 N4 O22 -","- C28 H28 Cd2 N4 O22 -","- C56 H56 Cd4 N8 O44 -","2","0.5","OB6098","Odoko, Mamiko; Kusano, Ai; Okabe, Nobuo","Hexaaquabis(μ-pyridine-2,6-dicarboxylato-<i>O,N,O</i>':<i>O</i>)dicadmium(II)-pyridine-2,6-dicarboxylic acid (1/2)","Acta Crystallographica Section E","2002","58","1","m25","m27","10.1107/S1600536801020888","","","0.7107","MoKα","","","0.0371","","","","0.1239","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200947","7.9289","0.001","8.4017","0.001","13.285","0.001","79.759","0.005","82.136","0.006","72.503","0.005","827.32","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 Br6 -","- C14 H8 Br6 -","- C28 H16 Br12 -","2","1","OB6099","Hökelek, Tuncer; Tutar, Ahmet; Çakmak, Osman","<i>trans,cis,trans</i>-1,2,3,4,9,10-Hexabromo-1,2,3,4-tetrahydroanthracene","Acta Crystallographica Section E","2002","58","1","o10","o12","10.1107/S160053680102061X","","","0.71073","MoKα","","0.0867","0.0331","","","0.0694","0.0804","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200948","6.4787","0.0003","9.2555","0.0006","13.9995","0.0006","91.014","0.004","101.315","0.003","106.592","0.004","786.44","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquamagnesium bis[trans[nitrilotriacetato(2-)-O^1^,N,O^2^]-μ-oxo-cis-dioxomolybdate(VI)] hexahydrate","","- C12 H38 Mg Mo2 N2 O29 -","- C12 H38 Mg Mo2 N2 O29 -","- C12 H38 Mg Mo2 N2 O29 -","1","0.5","OB6100","Yan, Wen Bin; Deng, Yuan Fu; Zhang, Feng Zhang; Zhou, Zhao Hui; Wan, Hui Lin; Ng, Seik Weng","Hexaaquamagnesium bis{<i>trans</i>-[nitrilotriacetato(2‒)-κ^3^<i>O</i>^1^,<i>N,O</i>^2^]-μ-oxo-<i>cis</i>-dioxomolybdate(VI)} hexahydrate","Acta Crystallographica Section E","2002","58","1","m22","m24","10.1107/S1600536801020748","","","0.71073","MoKα","","0.0311","0.0283","","","0.0739","0.0757","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200949","4.8685","0.001","17.199","0.007","17.172","0.004","90","","91.678","0.019","90","","1437.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N2 O12 -","- C8 H20 N2 O12 -","- C32 H80 N8 O48 -","4","1","OB6101","M.Alagar; M. Subha Nandhini; R. V. Krishnakumar; S.Natarajan","Bis(<small>DL</small>-serinium) oxalate dihydrate","Acta Crystallographica Section E","2002","58","2","o114","o116","10.1107/S1600536801021225","","","1.5418","CuKα","","0.0382","0.0373","","","0.0977","0.0986","","","","","","1.125","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200950","22.373","0.003","5.6925","0.0007","14.917","0.003","90","","115.31","0.01","90","","1717.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","β-alaninum oxalate hemihydrate","β-alaninum oxalate hemihydrate","","- C5 H10 N O6.5 -","- C5 H10 N O6.5 -","- C40 H80 N8 O52 -","8","1","OB6102","R. V. Krishnakumar; M. Subha Nandhini; S. Natarajan","β-Alaninium oxalate hemihydrate","Acta Crystallographica Section E","2002","58","2","o117","o119","10.1107/S1600536801021213","","","0.71073","MoKα","","0.0426","0.0328","","","0.0804","0.0902","","","","","","1.102","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200951","5.4507","0.0002","18.5945","0.0009","11.4256","0.0006","90","","100.941","0.003","90","","1136.97","0.09","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","Dibromothymoquinone","2,5-Dibromo-3-methyl-6-isopropyl-1,4-benzoquinone","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C40 H40 Br8 O8 -","4","1","OB6105","Lothar Esser; Zbyszek Otwinowski; Hoeon Kim","2,5-Dibromo-6-isopropyl-3-methyl-<i>p</i>-benzoquinone","Acta Crystallographica Section E","2002","58","2","o170","o171","10.1107/S1600536801021353","","","0.71073","MoKα","","0.0261","0.0244","","","0.0633","0.0643","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200952","13.1983","0.0018","19.015","0.003","8.8486","0.0012","90","","90","","90","","2220.7","0.6","294","2","294","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoyl]-5,5',6,6',7,7',8,8'-Octahydro -1,1'-Binaphthyl","","- C52 H56 O2 P2 -","- C52 H56 O2 P2 -","- C104 H112 O4 P4 -","2","0.5","OB6106","Guo, Rongwei; Wu, Jing; Kowk, Waihim; Chen, Jian; Choi, Michael C. K.; Zhou, Zhongyuan","(<i>S</i>)-2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl","Acta Crystallographica Section E","2002","58","3","o270","o271","10.1107/S1600536802001010","","","0.71073","MoKα","","0.0904","0.0487","","","0.1126","0.1278","","","","","","0.925","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200953","9.066","0.0006","18.5382","0.0013","15.9779","0.0011","90","","97.785","0.002","90","","2660.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3,5-Tris(phenylthiomethyl)-2,4,6-Trimethylbenzene","","- C30 H30 S3 -","- C30 H30 S3 -","- C120 H120 S12 -","4","1","OB6107","Jian-Rong Li; Yan, Zheng; Miao Du; Ya-Bo Xie; Ruo-Hua Zhang; Xian-He Bu","1,3,5-Tris(phenylthiomethyl)-2,4,6-trimethylbenzene","Acta Crystallographica Section E","2002","58","3","o243","o244","10.1107/S1600536802001824","","","0.71073","MoKα","","","0.0543","","","0.1254","0.1596","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200954","24.767","0.003","6.2051","0.001","14.1446","0.0015","90","","119.55","0.05","90","","1891","1","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H36 O3 -","- C20 H36 O3 -","- C80 H144 O12 -","4","1","OB6108","Kooijman, Huub; Spek, Anthony L.","(1<i>S</i>,3<i>R</i>,4<i>R</i>,4a<i>S</i>,8a<i>S</i>)-4-[(3<i>S</i>)-3-Hydroxy-3-methyl-4-pentenyl]-3,4a,8,8-tetramethyldecahydro-1,3-naphthalenediol","Acta Crystallographica Section E","2002","58","2","o172","o174","10.1107/S1600536802000727","","","0.71073","MoKα","","0.0564","0.0546","","","0.1066","0.1074","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200955","11.4829","0.0003","14.5419","0.0003","15.7595","0.0004","90","","90","","90","","2631.57","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(2R,5S)-2,5-Bis(4-nitrophenyl)perhydrofuro[2,3-b]furan-3-yl]triisopropylsilane","","- C27 H36 N2 O6 Si -","- C27 H36 N2 O6 Si -","- C108 H144 N8 O24 Si4 -","4","1","OB6109","Light, Mark E.; Hursthouse, Michael B.","[(2<i>R</i>,5<i>S</i>)-2,5-Bis(4-nitrophenyl)perhydrofuro[2,3-<i>b</i>]furan-3-yl]triisopropylsilane","Acta Crystallographica Section E","2002","58","3","o252","o253","10.1107/S1600536802001137","","","0.71073","MoKα","","0.0421","0.0342","","","0.0781","0.0812","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200956","14.6339","0.0003","7.7463","0.0001","35.8752","0.0007","90","","91.066","0.003","90","","4066.06","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triisopropyl[5-(4-nitrophenyl)tetrahydrofuran-3-ylidenemethyl]silane","","- C20 H31 N O3 Si -","- C20 H31 N O3 Si -","- C160 H248 N8 O24 Si8 -","8","1","OB6110","Light, Mark E.; Hursthouse, Michael B.","Triisopropyl[5-(4-nitrophenyl)tetrahydrofuran-3-ylidenemethyl]silane","Acta Crystallographica Section E","2002","58","2","o202","o203","10.1107/S1600536802001228","","","0.71073","MoKα","","0.2006","0.0824","","","0.1955","0.254","","","","","","0.969","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200957","12.98","0.007","8.482","0.005","14.189","0.008","90","","110.165","0.009","90","","1466.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2‒diethyl‒3‒hydroxy‒6‒phenylthio‒4(1H)‒pyridinone","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","OB6111","Xie, Wen-Lin; Chen, Cai-Hong; Ma, Lin; Gu, Lian-Quan","1,2-Diethyl-3-hydroxy-6-phenylthiopyridin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2002","58","2","o175","o177","10.1107/S1600536802000983","","","0.71073","MoKα","","0.0685","0.0465","","","0.1133","0.127","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200958","10.1959","0.0009","14.443","0.003","15.8359","0.0015","90","","90","","90","","2332","0.6","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl2 N3 O3 Zn2 -","- C20 H23 Cl2 N3 O3 Zn2 -","- C80 H92 Cl8 N12 O12 Zn8 -","4","1","OB6112","Leyla Tatar; Atakol, Orhan; Ülkü, Dinçer","{[μ-<i>N,N</i>'-Bis(salicylidene)-1,3-propanediaminato-<i>N,N</i>'-dimethylformamide]zinc(II)}dichlorozinc(II)","Acta Crystallographica Section E","2002","58","3","m83","m85","10.1107/S1600536802001678","","","0.71073","MoKα","","0.0339","0.0294","","","0.0874","0.0897","","","","","","1.109","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200959","12.2735","0.0017","34.237","0.007","6.2739","0.0008","90.224","0.014","93.705","0.01","91.576","0.014","2629.8","0.7","293","2","293","2","","","","","","","","3","P 1","P 1","1","Cholesterol hemimethanolate","","","- C27.5 H48 O1.5 -","- C27.5 H48 O1.5 -","- C110 H192 O6 -","4","4","OM6071","Shieh, Huey-Sheng; Nordman, Christer E.","Cholesterol hemimethanol solvate","Acta Crystallographica Section E","2002","58","1","o79","o80","10.1107/S1600536801020487","","","1.5418","CuKα","","0.0671","0.0535","","","0.0991","0.1019","","","","","","2.085","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2200960","38.354","0.001","11","0.001","22.689","0.001","90","","123.15","0.01","90","","8014.4","1.2","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","boc-Metkephamid-OMe","","- C35 H51 N5 O10.125 S -","- C35 H51 N5 O10.125 S -","- C280 H408 N40 O81 S8 -","8","2","OM6072","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Brine, George A.; Hayes, James P.; George, Clifford","Boc-tyrosyl-<small>D</small>-alanyl-glycyl-<i>N</i>-methyl-phenylalanyl-<i>O</i>-methyl-methionine hydrate: a protected analog of metkephamid","Acta Crystallographica Section E","2002","58","1","o13","o15","10.1107/S1600536801020475","","","1.54178","CuKα","","0.0538","0.0431","","","0.1041","0.1117","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200961","6.4111","0.0009","23.169","0.003","6.8348","0.0009","90","","106.377","0.002","90","","974","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Cu N O7 -","- C7 H9 Cu N O7 -","- C28 H36 Cu4 N4 O28 -","4","1","OM6073","Blake, Alexander J.; Felloni, Marina; Hubberstey, Peter; Schröder, Martin; Wilson, Claire","Triaqua(2,6-pyridinedicarboxylato)copper(II) at 150K","Acta Crystallographica Section E","2002","58","2","m43","m46","10.1107/S160053680102164X","","","0.71073","MoKα","","0.023","0.021","","","0.06","0.061","","","","","","1.151","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2200962","13.3725","0.0004","9.7045","0.0003","8.92","0.0002","90","","90","","90","","1157.58","0.06","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","(E)-2-Styryl-[1,3,6,2]dioxazaborolane","","- C12 H16 B N O2 -","- C12 H16 B N O2 -","- C48 H64 B4 N4 O8 -","4","1","OM6074","Thadani, Avinash N.; Batey, Robert A.; Lough, Alan J.; Smil, David V.","(<i>E</i>)-2-Styryl-[1,3,6,2]dioxazaborolane","Acta Crystallographica Section E","2002","58","3","o238","o239","10.1107/S1600536802001691","","","0.71073","MoKα","","0.034","0.0302","","","0.0777","0.0798","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200963","9.3198","0.0017","23.416","0.002","15.838","0.003","90","","91.333","0.009","90","","3455.4","1","233","","233","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(9,10-triptyceno)benzo-28-crown-8","","","- C40 H44 O8 -","- C40 H44 O8 -","- C160 H176 O32 -","4","1","OM6075","Jeffrey C. Bryan; Andrei A. Gakh; Richard A. Sachleben","(9,10-Triptyceno)benzo-28-crown-8","Acta Crystallographica Section E","2002","58","2","o129","o131","10.1107/S1600536802000302","","","0.71073","MoKα","","0.129","0.048","","","0.111","0.134","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200964","10.283","0.003","8.124","0.002","11.757","0.004","90","","113.673","0.011","90","","899.5","0.5","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzoyl-2(S)-tert-butyl-4-methoxy-6(S)-carbomethoxy-1,2,5,6-tetrahydro- 1,3-pyrimidine","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","1","OM6076","Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.","1-Benzoyl-2(<i>S</i>)-<i>tert</i>-butyl-4-methoxy-6(<i>S</i>)-carbomethoxy-1,2,5,6-tetrahydro-1,3-pyrimidine: a useful precursor of α-alkylated aspartic acids","Acta Crystallographica Section E","2002","58","3","o261","o262","10.1107/S1600536802002210","","","0.71073","MoKα","","0.052","0.039","","","0.082","0.088","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200965","10.4567","0.0004","15.6672","0.0007","17.0037","0.0007","90","","105.576","0.001","90","","2683.37","0.19","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Au N O3 P S2 -","- C26 H31 Au N O3 P S2 -","- C104 H124 Au4 N4 O12 P4 S8 -","4","1","OM6078","Ho, Soo Yei; Tiekink, Edward R. T.","(<i>N,N</i>-Diethyldithiocarbamato)[tris(<i>p</i>-methoxyphenyl)phosphine]gold(I)","Acta Crystallographica Section E","2002","58","3","m86","m87","10.1107/S1600536802002064","","","0.71069","MoKα","","0.045","0.033","","","0.073","0.078","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2200966","12.6115","0.0013","20","0.003","19.995","0.003","90","","107.087","0.009","90","","4820.7","1.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra-t-butylcalix[4]arene-1,2-crown-4 N,N-dimethylformamide","","","- C53 H73 N O7 -","- C53 H73 N O7 -","- C212 H292 N4 O28 -","4","1","OM6080","Jeffrey C. Bryan; Tatiana G. Levitskaia","A tetra-<i>tert</i>-butylcalix[4]arene-12-crown-4 <i>N,N</i>-dimethylformamide inclusion complex","Acta Crystallographica Section E","2002","58","3","o240","o242","10.1107/S1600536802002076","","","0.71073","MoKα","","0.119","0.058","","","0.146","0.171","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200967","12.2381","0.0009","21.8866","0.0015","10.3089","0.0007","90","","113.69","0.001","90","","2528.6","0.3","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 O2 -","- C32 H35.886 O2.114 -","- C128 H143.544 O8.456 -","4","1","TK6043","Robert B. Bates; S. V. Bhatwadekar; Zackary D. Crane; Christopher W. Dicus; S. K. Paknikar; Hugh D. Selby; Bilal A. Sufi","6,7-<i>cis</i>-7,8-<i>trans</i>-3,3-Dimethyl-7-(5,5-dimethyl-3-oxo-1-cyclohexenyl)-6,8-diphenyl-1,2,3,4,5,6,7,8-octahydronaphthalen-1-one","Acta Crystallographica Section E","2002","58","1","o18","o19","10.1107/S1600536801020281","","","0.71073","MoKα","","0.141","0.047","","","0.104","0.139","","","","","","0.94","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200968","16.0939","0.0014","10.3961","0.0012","13.6382","0.0013","90","","100.196","0.009","90","","2245.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(diisopropylammonium) hexachloroiridate(IV)","","- C12 H32 Cl6 Ir N2 -","- C12 H32 Cl6 Ir N2 -","- C48 H128 Cl24 Ir4 N8 -","4","1","TK6045","Guido J. Reiß","The pseudosymmetric structure of bis(diisopropylammonium) hexachloroiridate(IV) and its relationship to potassium hexachloroiridate(III)","Acta Crystallographica Section E","2002","58","2","m47","m50","10.1107/S1600536802000417","","","0.71073","MoKα","","0.046","0.034","","","0.083","0.094","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200969","13.441","0.001","4.876","0.0004","15.47","0.002","90","","97.12","0.01","90","","1006.06","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-phenylalanine L-phenylalanium dihydrogen phosphate","L-phenylalanine L-phenylalanium dihydrogen phosphate","","- C18 H25 N2 O8 P -","- C18 H25 N2 O8 P -","- C36 H50 N4 O16 P2 -","2","1","TK6046","Ravikumar, B.; Sridhar, B.; Rajaram, R.K.","<small>L</small>-Phenylalanine <small>L</small>-phenylalaninium dihydrogenphosphate","Acta Crystallographica Section E","2002","58","2","o123","o125","10.1107/S1600536802000090","","","0.71073","MoKα","","0.172","0.063","","","0.135","0.184","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200970","7.872","0.002","7.56","0.002","19.836","0.002","90","","101.03","0.01","90","","1158.7","0.4","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 O7 -","- C10 H16 O7 -","- C40 H64 O28 -","4","1","TK6047","Okabe, Nobuo; Kyoyama, Hasuyo","Propyl gallate dihydrate","Acta Crystallographica Section E","2002","58","3","o245","o247","10.1107/S1600536802002015","","","0.7107","MoKα","","","0.046","","","","0.175","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200971","11.6756","0.0001","11.6756","0.0001","10.503","0.0001","90","","90","","90","","1431.77","0.02","203","2","203","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Bis[cyclopentadienyl(dicarbonyl)iron]mercury(II)","","- C14 H10 Fe2 Hg O4 -","- C14 H10 Fe2 Hg O4 -","- C56 H40 Fe8 Hg4 O16 -","4","0.5","TK6048","McIndoe, J. Scott; Nicholson, Brian K.","Bis[dicarbonyl(cyclopentadienyl)ferrio]mercury(II)","Acta Crystallographica Section E","2002","58","2","m53","m54","10.1107/S1600536802000818","","","0.71073","MoKα","","0.038","0.037","","","0.1","0.1","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200972","22.758","0.011","7.16","0.007","5.422","0.002","90","","91.88","0.03","90","","883","1","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(phenylmethyl)sulphonyl]methanol","","- C8 H10 O3 S -","- C8 H10 O3 S -","- C32 H40 O12 S4 -","4","1","TK6049","Healy, Peter C.; Loughlin, Wendy A.; Sweeney, Bláithín M.; Jenkins, Ian D.","(Benzylsulfonyl)methanol","Acta Crystallographica Section E","2002","58","2","o137","o138","10.1107/S1600536802000429","","","0.71069","MoKα","","0.064","0.036","","","0.09","0.101","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200973","14.766","0.005","11.214","0.004","12.089","0.004","90","","102.51","0.03","90","","1954.2","