# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-29T03:47:44+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 C') AND volume = 66 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
"2017461","9.817","0.002","9.741","0.003","11.012","0.002","90","","101.76","0.02","90","","1030.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","lithium cobalt(II/III) bis(diphosphate)","","- Co1.97 Li4.03 O14 P4 -","- Co1.969 Li4.021 O14 P4 -","- Co7.876 Li16.084 O56 P16 -","4","1","DN3129","Kouass, Salah; Guesmi, Abderrahmen; Driss, Ahmed","Le phosphate de cobalt et de lithium à valence mixte Li~4+<i>x~</i>Co~2{-~<i>x</i>}(P~2~O~7~)~2~ (<i>x</i> = 0,03): étude structurale et analyse de distribution de charge","Acta Crystallographica Section C","2010","66","1","i4","i6","10.1107/S0108270109052810","","","0.71073","MoKα","","0.0504","0.0377","","","0.0942","0.1002","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017462","6.961","0.0014","7.038","0.0014","13.322","0.003","94.82","0.02","103.75","0.03","92.58","0.02","630.3","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ~2~-aqua[μ~3~-1-hydroxy-2-(1<i>H</i>,3<i>H</i>-imidazol-3-ium-1- yl)ethylidenediphosphonato]potassium(I)] monohydrate]","","- C5 H13 K N2 O9 P2 -","- C5 H13 K N2 O9 P2 -","- C10 H26 K2 N4 O18 P4 -","2","1","DN3131","Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo","Zoledronate complexes. I. Poly[[μ~2~-aqua[μ~3~-1-hydroxy-2-(1<i>H</i>,3<i>H</i>-imidazol-3-ium-1-yl)ethylidenediphosphonato]potassium(I)] monohydrate]","Acta Crystallographica Section C","2010","66","1","m13","m16","10.1107/S0108270109054006","","","0.71073","MoKα","","0.0281","0.0259","","","0.0686","0.0698","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017463","6.7339","0.0011","15.469","0.004","21.327","0.004","90","","90","","90","","2221.6","0.8","168","2","168","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-amino-7-methoxy-1,4-dihydroquinoxaline-2,3-dione hydrochloride hydrate","7-Methoxy-2,3-dioxo-1,4-dihydroquinoxalin-6-aminium chloride monohydrate","","- C9 H12 Cl N3 O4 -","- C9 H12 Cl N3 O4 -","- C72 H96 Cl8 N24 O32 -","8","1","DN3132","Brüning, Jürgen; Peters, Alexander; Bats, Jan W.; Schmidt, Martin U.","7-Methoxy-2,3-dioxo-1,4-dihydroquinoxalin-6-aminium chloride monohydrate","Acta Crystallographica Section C","2010","66","1","o1","o4","10.1107/S0108270109050197","","","0.71073","MoKα","","0.1465","0.0538","","","0.0918","0.1174","","","","","","0.993","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017464","7.5571","0.0002","7.7903","0.0003","29.8324","0.0008","90","","90","","90","","1756.3","0.09","108","","108","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-methylpiperazinediium bis[hydrogen (2<i>S</i>,3<i>S</i>)-tartrate] monohydrate","","- C13 H26 N2 O13 -","- C13 H26 N2 O13 -","- C52 H104 N8 O52 -","4","1","EG3031","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:2 salts of (<i>R</i>)- and (<i>S</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2010","66","1","o20","o24","10.1107/S0108270109046460","","","0.71075","MoKα","","0.0257","0.0249","","","0.0619","0.0622","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017465","7.6062","0.0003","7.6426","0.0003","30.3987","0.0011","90","","90","","90","","1767.11","0.12","103","","103","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-methylpiperazinediium bis[hydrogen (2<i>S</i>,3<i>S</i>)-tartrate] monohydrate","","- C13 H26 N2 O13 -","- C13 H26 N2 O13 -","- C52 H104 N8 O52 -","4","1","EG3031","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:2 salts of (<i>R</i>)- and (<i>S</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2010","66","1","o20","o24","10.1107/S0108270109046460","","","0.71075","MoKα","","0.0369","0.0347","","","0.0868","0.0878","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017466","10.4969","0.0017","9.855","0.0009","12.6739","0.0016","90","","99.883","0.009","90","","1291.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>)-3-{1-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5- dihydrofuran-2(3<i>H</i>)-one","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","FA3210","Quiroga, Jairo; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","A simple hydrogen-bonded chain in (3<i>Z</i>)-3-{1-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3<i>H</i>)-one, and a hydrogen-bonded ribbon of centrosymmetric rings in the self-assembled adduct (3<i>Z</i>)-3-{1-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3<i>H</i>)-one‒6-(2-hydroxyethyl)-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1)","Acta Crystallographica Section C","2010","66","1","o25","o28","10.1107/S0108270109052846","","","0.71073","MoKα","","0.0906","0.0481","","","0.1064","0.1277","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017467","8.0402","0.0011","8.2025","0.0017","15.348","0.003","91.999","0.014","99.785","0.012","99.172","0.015","982.7","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(3<i>Z</i>)-3-{1-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5- dihydrofuran-2(3<i>H</i>)-one‒6-(2-hydroxyethyl)-2,5- dimethylpyrazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1)","","- C20 H26 N6 O4 -","- C20 H26 N6 O4 -","- C40 H52 N12 O8 -","2","1","FA3210","Quiroga, Jairo; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","A simple hydrogen-bonded chain in (3<i>Z</i>)-3-{1-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3<i>H</i>)-one, and a hydrogen-bonded ribbon of centrosymmetric rings in the self-assembled adduct (3<i>Z</i>)-3-{1-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3<i>H</i>)-one‒6-(2-hydroxyethyl)-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1)","Acta Crystallographica Section C","2010","66","1","o25","o28","10.1107/S0108270109052846","","","0.71073","MoKα","","0.0776","0.0462","","","0.1065","0.1232","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017468","7.9772","0.0002","10.0023","0.0004","10.8409","0.0005","93.693","0.002","93.562","0.003","99.196","0.002","849.8","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-cyano-<i>N</i>-(2,6-dimethoxypyrimidin-4-yl)-3-[4- (dimethylamino)phenyl]acrylamide","","- C18 H19 N5 O3 -","- C18 H19 N5 O3 -","- C36 H38 N10 O6 -","2","1","FA3211","Quiroga, Jairo; Gálvez, Jaime; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","2-Cyano-<i>N</i>-(2,6-dimethoxypyrimidin-4-yl)-3-[4-(dimethylamino)phenyl]acrylamide and dimethylammonium 6-cyano-1,3-dimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-<i>d</i>]pyrimidin-8-ide: a π-stacked dimer and a hydrogen-bonded ribbon containing three types of ring","Acta Crystallographica Section C","2010","66","1","o39","o43","10.1107/S0108270109053785","","","0.71073","MoKα","","0.0682","0.0471","","","0.1194","0.1327","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017469","8.152","0.0005","9.2984","0.0008","9.7299","0.0008","69.609","0.003","70.741","0.004","79.447","0.005","650.69","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","dimethylammonium 6-cyano-1,3-dimethyl-2,4,5-trioxo-1,2,3,4,5,8- hexahydropyrido[2,3-<i>d</i>]pyrimidin-8-ide","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C24 H30 N10 O6 -","2","1","FA3211","Quiroga, Jairo; Gálvez, Jaime; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","2-Cyano-<i>N</i>-(2,6-dimethoxypyrimidin-4-yl)-3-[4-(dimethylamino)phenyl]acrylamide and dimethylammonium 6-cyano-1,3-dimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-<i>d</i>]pyrimidin-8-ide: a π-stacked dimer and a hydrogen-bonded ribbon containing three types of ring","Acta Crystallographica Section C","2010","66","1","o39","o43","10.1107/S0108270109053785","","","0.71073","MoKα","","0.1098","0.065","","","0.1617","0.1938","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017470","5.13763","0.00008","8.1188","0.00012","9.75293","0.0001","73.126","0.001","76.885","0.001","76.025","0.001","372.346","0.009","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(acetonitrile-κ<i>N</i>)manganese(II)]-bis(μ- trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]","","- C6 H6 F6 Mn N2 O6 S2 -","- C6 H6 F6 Mn N2 O6 S2 -","- C6 H6 F6 Mn N2 O6 S2 -","1","0.5","FG3146","Lutz, Martin; Schreurs, Antoine M. M.; Spek, Anthony L.; Moelands, Marcel A. H.; Klein Gebbink, Robertus J. M.","<i>catena</i>-Poly[[bis(acetonitrile-κ<i>N</i>)manganese(II)]-bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","2010","66","1","m9","m12","10.1107/S0108270109053281","","","0.71073","MoKα","","0.0183","0.0178","","","0.0475","0.0478","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017471","16.638","0.003","13.609","0.002","15.214","0.003","90","","121.309","0.002","90","","2943.2","0.9","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potasium barium magnesium borate fluoride","","- B14 Ba7 F5 K Mg2 O28 -","- B14 Ba6.999 F5 K1.001 Mg2 O28 -","- B56 Ba27.996 F20 K4.004 Mg8 O112 -","4","0.5","FN3043","Li, R. K.; Chen, Peng","KBa~7~Mg~2~B~14~O~28~F~5~, a new borate with an unusual heptaborate group and double perovskite unit","Acta Crystallographica Section C","2010","66","1","i7","i8","10.1107/S0108270109054341","","","0.71073","MoKα","","0.0255","0.0213","","","0.0397","0.0411","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017472","11.2449","0.0004","6.0053","0.0002","29.0699","0.0011","90","","96.428","0.0017","90","","1950.72","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C112 H72 N8 O8 -","4","0.5","GD3316","Fourati, M. Amine; Maris, Thierry; Bazuin, C. Géraldine; Prud'homme, Robert E.","(<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene at 150 and 375K","Acta Crystallographica Section C","2010","66","1","o11","o14","10.1107/S0108270109050379","","","1.54178","CuKα","","0.0358","0.0322","","","0.0874","0.0905","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017473","11.3459","0.0005","6.0578","0.0003","29.6234","0.0015","90","","95.073","0.003","90","","2028.08","0.17","375","","375","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C112 H72 N8 O8 -","4","0.5","GD3316","Fourati, M. Amine; Maris, Thierry; Bazuin, C. Géraldine; Prud'homme, Robert E.","(<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene at 150 and 375K","Acta Crystallographica Section C","2010","66","1","o11","o14","10.1107/S0108270109050379","","","1.54178","CuKα","","0.0704","0.0584","","","0.1683","0.1763","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017474","10.8346","0.0014","7.4952","0.0009","24.621","0.003","90","","90","","90","","1999.4","0.4","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde hemihydrate","","- C11 H12 N3 O1.5 -","- C11 H12 N3 O1.5 -","- C88 H96 N24 O12 -","8","1","GG3225","Quiroga, Jairo; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde hemihydrate: a polarized electronic structure within hydrogen-bonded sheets of <i>R</i>~10~^8^(34) rings","Acta Crystallographica Section C","2010","66","1","o47","o49","10.1107/S0108270109053906","","","0.71073","MoKα","","0.0934","0.0551","","","0.112","0.1263","","","","","","1.158","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017475","6.3784","0.0015","12.793","0.002","18.014","0.005","90","","97.28","0.02","90","","1458.1","0.6","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3,4,5,6-pentamethylbenzophenone","","- C18 H20 O -","- C18 H20 O -","- C72 H80 O4 -","4","1","GZ3170","Bakowicz, Julia; Turowska-Tyrk, Ilona","Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone","Acta Crystallographica Section C","2010","66","1","o29","o32","10.1107/S0108270109052858","","","0.71073","MoKα","","0.0786","0.0566","","","0.1572","0.1772","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017476","10.7926","0.0018","14.931","0.002","7.8275","0.0011","90","","90","","90","","1261.4","0.3","299","2","299","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1,3-diphenylbutan-1-one","","- C16 H16 O -","- C16 H16 O -","- C64 H64 O4 -","4","1","GZ3170","Bakowicz, Julia; Turowska-Tyrk, Ilona","Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone","Acta Crystallographica Section C","2010","66","1","o29","o32","10.1107/S0108270109052858","","","0.71073","MoKα","","0.0438","0.0382","","","0.1088","0.1152","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017477","9.2288","0.001","12.0541","0.0014","18.821","0.002","90","","90.021","0.009","90","","2093.7","0.4","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4,6-triisopropyl-4'-methoxybenzophenone‒ 3,5-diisopropyl-7-(4-methoxyphenyl)-8,8-dimethylbicyclo[4.2.0]octa-1,3,5- trien-7-ol (9/1)","","- C23 H30 O2 -","- C23 H29.588 O2 -","- C92 H118.352 O8 -","4","1","GZ3170","Bakowicz, Julia; Turowska-Tyrk, Ilona","Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone","Acta Crystallographica Section C","2010","66","1","o29","o32","10.1107/S0108270109052858","","","0.71073","MoKα","","0.1463","0.0657","","","0.1756","0.2316","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017478","6.416","0.0007","7.9559","0.0008","11.9569","0.0012","77.574","0.007","80.837","0.007","75.518","0.006","573.51","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Narconumal, Enallylpropymal","5-allyl-5-isopropyl-1-methylbarbituric acid","","- C11 H16 N2 O3 -","- C11 H16 N2 O3 -","- C22 H32 N4 O6 -","2","1","JZ3168","Gelbrich, Thomas; Zencirci, Neslihan; Griesser, Ulrich J.","Hydrogen-bond motifs in <i>N</i>-monosubstituted derivatives of barbituric acid: 5-allyl-5-isopropyl-1-methylbarbituric acid (enallylpropymal) and 1,5-di(but-2-enyl)-5-ethylbarbituric acid","Acta Crystallographica Section C","2010","66","1","o55","o58","10.1107/S0108270109054249","","","0.71073","MoKα","","0.1257","0.0709","","","0.1022","0.1144","","","","","","1.175","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017479","10.2825","0.0011","13.2972","0.0016","10.3959","0.001","90","","92.999","0.007","90","","1419.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-di(but-2-enyl)-5-ethylbarbituric acid","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","JZ3168","Gelbrich, Thomas; Zencirci, Neslihan; Griesser, Ulrich J.","Hydrogen-bond motifs in <i>N</i>-monosubstituted derivatives of barbituric acid: 5-allyl-5-isopropyl-1-methylbarbituric acid (enallylpropymal) and 1,5-di(but-2-enyl)-5-ethylbarbituric acid","Acta Crystallographica Section C","2010","66","1","o55","o58","10.1107/S0108270109054249","","","0.71073","MoKα","","0.1693","0.0796","","","0.1096","0.1271","","","","","","1.209","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017480","10.696","0.001","9.281","0.001","16.741","0.001","90","","110.39","0.02","90","","1557.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-bis(2-pyridylthiomethyl)pyridine","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","KU3018","Rotondo, Archimede; Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Di Pietro, Santo","Dithioether ligands containing a 2,6-disubstituted pyridine linker with two thioether-heterocycle arms","Acta Crystallographica Section C","2010","66","1","o15","o19","10.1107/S0108270109051543","","","0.71073","MoKα","","0.0317","0.0282","","","","0.0804","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017481","7.946","0.001","9.842","0.001","12.503","0.001","69.829","0.002","75.053","0.002","80.807","0.002","884.06","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,6-bis(6-methyl-2-pyridylthiomethyl)pyridine","","- C19 H19 N3 S2 -","- C19 H19 N3 S2 -","- C38 H38 N6 S4 -","2","1","KU3018","Rotondo, Archimede; Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Di Pietro, Santo","Dithioether ligands containing a 2,6-disubstituted pyridine linker with two thioether-heterocycle arms","Acta Crystallographica Section C","2010","66","1","o15","o19","10.1107/S0108270109051543","","","0.71073","MoKα","","0.034","0.0319","","","","0.0892","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017482","7.407","0.001","11.1","0.001","12.428","0.001","95.91","0.01","99.8","0.01","97.31","0.01","990.56","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,6-bis(4-methyl-2-pyrimidylthiomethyl)pyridine n-pentane hemisolvate","","- C19.5 H23 N5 S2 -","- C19.5 H23 N5 S2 -","- C39 H46 N10 S4 -","2","1","KU3018","Rotondo, Archimede; Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Di Pietro, Santo","Dithioether ligands containing a 2,6-disubstituted pyridine linker with two thioether-heterocycle arms","Acta Crystallographica Section C","2010","66","1","o15","o19","10.1107/S0108270109051543","","","0.71073","MoKα","","0.0505","0.0442","","","","0.1349","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017483","9.0227","0.001","10.4548","0.0011","13.2014","0.0014","98.705","0.002","108.738","0.002","111.873","0.002","1041.1","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Erlotinib monohydrate","<i>N</i>-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine monohydrate","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C44 H50 N6 O10 -","2","1","SF3120","Sridhar, B.; Ravikumar, K.; Krishnan, Harihara; Singh, A. N.","Multicomponent crystals of erlotinib","Acta Crystallographica Section C","2010","66","1","o33","o38","10.1107/S0108270109052470","","","0.71073","MoKα","","0.0487","0.043","","","0.1135","0.1195","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017484","7.6285","0.0008","10.2252","0.001","14.6525","0.0014","86.076","0.002","84.925","0.002","70.559","0.002","1072.62","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Erlotinib hemioxalate","4-amino-<i>N</i>-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-1-ium hemioxalate","","- C46 H48 N6 O12 -","- C46 H48 N6 O12 -","- C46 H48 N6 O12 -","1","0.5","SF3120","Sridhar, B.; Ravikumar, K.; Krishnan, Harihara; Singh, A. N.","Multicomponent crystals of erlotinib","Acta Crystallographica Section C","2010","66","1","o33","o38","10.1107/S0108270109052470","","","0.71073","MoKα","","0.0857","0.0666","","","0.1338","0.1422","","","","","","1.168","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2017485","7.967","0.002","13.248","0.004","13.745","0.004","108.916","0.005","106.673","0.005","101.909","0.005","1240.9","0.6","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Erlotinib fumaric acid hemisolvate dihydrate","<i>N</i>-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine fumaric acid hemisolvate dihydrate","","- C24 H29 N3 O8 -","- C24 H29 N3 O8 -","- C48 H58 N6 O16 -","2","1","SF3120","Sridhar, B.; Ravikumar, K.; Krishnan, Harihara; Singh, A. N.","Multicomponent crystals of erlotinib","Acta Crystallographica Section C","2010","66","1","o33","o38","10.1107/S0108270109052470","","","0.71073","MoKα","","0.0678","0.0535","","","0.1303","0.1396","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017486","7.3073","0.0012","12.1065","0.0013","14.541","0.002","90","","90","","90","","1286.4","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-aminopyridinium hydrogen L-tartrate dihydrate","3-aminopyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate dihydrate","","- C9 H16 N2 O8 -","- C9 H16 N2 O8 -","- C36 H64 N8 O32 -","4","1","SF3121","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)","Acta Crystallographica Section C","2010","66","1","o5","o10","10.1107/S0108270109049154","","","0.71073","MoKα","","0.0485","0.0386","","","0.0942","0.0978","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017487","6.5792","0.0002","7.7637","0.0002","21.683","0.0005","90","","90","","90","","1107.54","0.05","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nicotinic acid hydrogen L-tartrate","3-carboxypyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate","","- C10 H11 N O8 -","- C10 H11 N O8 -","- C40 H44 N4 O32 -","4","1","SF3121","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)","Acta Crystallographica Section C","2010","66","1","o5","o10","10.1107/S0108270109049154","","","0.71073","MoKα","","0.0377","0.0294","","","0.0644","0.0662","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017488","7.1536","0.0004","7.8273","0.0003","22.0145","0.001","90","","90","","90","","1232.67","0.1","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","picolinic acid hydrogen L-tartrate monohydrate","2-carboxypyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate monohydrate","","- C10 H13 N O9 -","- C10 H13 N O9 -","- C40 H52 N4 O36 -","4","1","SF3121","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)","Acta Crystallographica Section C","2010","66","1","o5","o10","10.1107/S0108270109049154","","","0.71073","MoKα","","0.0608","0.047","","","0.1021","0.1067","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017489","5.7799","0.0002","9.9485","0.0003","13.0849","0.0005","83.343","0.002","86.652","0.002","77.128","0.002","728.13","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)prop-2- enone","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C38 H28 N4 O8 -","2","1","SK3356","Abonía, Rodrigo; Cuervo, Paola; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)prop-2-enone: a sheet built by π-stacking of hydrogen-bonded chains of rings","Acta Crystallographica Section C","2010","66","1","o44","o46","10.1107/S0108270109053554","","","0.71073","MoKα","","0.0543","0.0426","","","0.1022","0.1115","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017490","9.2153","0.0016","15.299","0.003","51.544","0.008","90","","90","","90","","7267","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Hydronium tetrakis[(1<i>R</i>,2<i>R</i>,3<i>S</i>,5<i>S</i>,8<i>S</i>)- 3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate] pentakis[tetrachloridoaurate(III)] hexahydrate","","- C36 H79 Au5 Cl20 N4 O19 -","- C36 H59 Au5 Cl20 N4 O19 -","- C144 H236 Au20 Cl80 N16 O76 -","4","1","SQ3203","Wood, Matthew R.; Thompson, Hugh W.; Brettell, Thomas A.; Lalancette, Roger A.","The hydrated and anhydrous gold(III) tetrachloride salts of <small>L</small>-ecgonine, an important forensic toxicology marker for cocaine","Acta Crystallographica Section C","2010","66","1","m4","m8","10.1107/S0108270109030583","","","1.54178","CuKα","","0.041","0.04","","","0.098","0.099","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017491","10.0276","0.0001","15.7339","0.0002","18.6416","0.0002","90","","90","","90","","2941.15","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>,3<i>S</i>,5<i>S</i>,8<i>S</i>)-3-hydroxy-8-methyl-8- azoniabicyclo[3.2.1]octane-2-carboxylate tetrachloridoaurate(III)","","- C9 H16 Au Cl4 N O3 -","- C9 H16 Au Cl4 N O3 -","- C72 H128 Au8 Cl32 N8 O24 -","8","2","SQ3203","Wood, Matthew R.; Thompson, Hugh W.; Brettell, Thomas A.; Lalancette, Roger A.","The hydrated and anhydrous gold(III) tetrachloride salts of <small>L</small>-ecgonine, an important forensic toxicology marker for cocaine","Acta Crystallographica Section C","2010","66","1","m4","m8","10.1107/S0108270109030583","","","1.54178","CuKα","","0.019","0.018","","","0.046","0.047","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017492","11.674","0.002","8.623","0.0017","23.318","0.005","90","","98.97","0.03","90","","2318.6","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diammonium <i>closo</i>-decahydrodecaborate sesquihydrate","","- B10 H21 N2 O1.5 -","- B10 H21 N2 O1.5 -","- B80 H168 N16 O12 -","8","2","SQ3215","Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Meyers, Edward A.; Shore, Sheldon G.; Zhao, Ji-Cheng","Intermolecular dihydrogen- and hydrogen-bonding interactions in diammonium <i>closo</i>-decahydrodecaborate sesquihydrate","Acta Crystallographica Section C","2010","66","1","m1","m3","10.1107/S0108270109040815","","","0.71073","MoKα","","0.0803","0.0446","","","0.1076","0.1211","","","","","","1.015","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017493","5.0381","0.0006","5.0381","0.0006","15.155","0.0019","90","","90","","120","","333.13","0.07","295","2","295","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","cadmium dizinc potassium borate fluoride","","- B2 Cd F K O6 Zn2 -","- B2 Cd F K O6 Zn2 -","- B4 Cd2 F2 K2 O12 Zn4 -","2","0.166667","SQ3218","Zhang, Fan; Jiao, Zhi-Wei; Shen, De-Zhong; Shen, Guang-Qiu; Wang, Xiao-Qing","CdZn~2~KB~2~O~6~F, a new fluoride borate crystal","Acta Crystallographica Section C","2010","66","1","i1","i3","10.1107/S0108270109050069","","","0.71073","MoKα","","0.04","0.0374","","","0.0816","0.0829","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017494","8.581","0.003","13.862","0.001","17.17","0.004","90","","104.53","0.02","90","","1977","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-cyanophenylimino)triphenylphosphorane","","- C25 H19 N2 P -","- C25 H19 N2 P -","- C100 H76 N8 P4 -","4","1","UK3009","De Borger, Roeland; Collas, Alain; Dommisse, Roger; Blockhuys, Frank","Synthesis and structures of substituted triphenyl(phenylimino)phosphoranes","Acta Crystallographica Section C","2010","66","1","o50","o54","10.1107/S0108270109047763","","","0.71073","MoKα","","0.0852","0.0367","","","0.0801","0.0945","","","","","","1.014","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017495","9.118","0.002","17.536","0.004","14.245","0.004","90","","117.591","0.017","90","","2018.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-nitrophenylimino)triphenylphosphorane","","- C24 H19 N2 O2 P -","- C24 H19 N2 O2 P -","- C96 H76 N8 O8 P4 -","4","1","UK3009","De Borger, Roeland; Collas, Alain; Dommisse, Roger; Blockhuys, Frank","Synthesis and structures of substituted triphenyl(phenylimino)phosphoranes","Acta Crystallographica Section C","2010","66","1","o50","o54","10.1107/S0108270109047763","","","0.71073","MoKα","","0.0542","0.0324","","","","0.0894","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017496","9.001","0.002","9.77","0.007","12.098","0.005","84.34","0.004","78.19","0.004","78.41","0.003","1018.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3-nitrophenylimino)triphenylphosphorane","","- C24 H19 N2 O2 P -","- C24 H19 N2 O2 P -","- C48 H38 N4 O4 P2 -","2","1","UK3009","De Borger, Roeland; Collas, Alain; Dommisse, Roger; Blockhuys, Frank","Synthesis and structures of substituted triphenyl(phenylimino)phosphoranes","Acta Crystallographica Section C","2010","66","1","o50","o54","10.1107/S0108270109047763","","","0.71073","MoKα","","0.0484","0.0392","","","0.1036","0.1099","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017497","13.793","0.0012","13.5544","0.0012","17.9574","0.0016","90","","90","","90","","3357.2","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Granisetron","1-methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole- 3-carboxamide","","- C18 H24 N4 O -","- C18 H24 N4 O -","- C144 H192 N32 O8 -","8","1","DN3133","Ravikumar, Krishnan; Sridhar, Balasubramanian","Granisetron, an antiemetic drug, and its cobalt complex","Acta Crystallographica Section C","2010","66","2","m35","m39","10.1107/S0108270109055449","","","0.71073","MoKα","","0.0491","0.043","","","0.1179","0.1283","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017498","9.6311","0.0009","9.9794","0.0009","16.0133","0.0014","92.611","0.001","103.449","0.001","118.037","0.001","1299.5","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","diaqua[1-methyl-<i>N</i>-(9-methyl-9-azoniabicyclo[3.3.1]nonan-7-yl)indazole- 3-carboxamide]cobalt(II) tetrachloride dodecahydrate","","- C36 H78 Cl4 Co N8 O16 -","- C36 H78 Cl4 Co N8 O16 -","- C36 H78 Cl4 Co N8 O16 -","1","0.5","DN3133","Ravikumar, Krishnan; Sridhar, Balasubramanian","Granisetron, an antiemetic drug, and its cobalt complex","Acta Crystallographica Section C","2010","66","2","m35","m39","10.1107/S0108270109055449","","","0.71073","MoKα","","0.0416","0.0382","","","0.1058","0.1139","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017499","9.059","0.002","10.238","0.003","10.983","0.002","74.18","0.02","76.324","0.018","71.74","0.02","917.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-{2-[2-(9,10-dihydroacridin-9-ylidene)-1-methylhydrazinyl]-4-oxo-4,5-dihydro- 1,3-thiazol-5-ylidene}acetate","","- C20 H16 N4 O3 S -","- C20 H16 N4 O3 S -","- C40 H32 N8 O6 S2 -","2","1","DN3135","Potočňák, Ivan; Imrich, Ján; Danihel, Ivan; Kožíšek, Jozef; Klika, Karel Douglas","4-(9,10-Dihydroacridin-9-ylidene)thiosemicarbazide and its five-membered thiazole and six-membered thiazine derivatives","Acta Crystallographica Section C","2010","66","2","o87","o92","10.1107/S0108270110001277","","","0.71073","MoKα","","0.1145","0.0398","","","0.0622","0.0786","","","","","","0.889","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017500","4.7035","0.0002","18.5073","0.0004","9.1172","0.0002","90","","102.689","0.003","90","","774.26","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[2-(9,10-dihydroacridin-9-ylidene)-1-methylhydrazinyl]-4<i>H</i>-1,3- thiazin-4-one","","- C18 H14 N4 O S -","- C18 H14 N4 O S -","- C36 H28 N8 O2 S2 -","2","1","DN3135","Potočňák, Ivan; Imrich, Ján; Danihel, Ivan; Kožíšek, Jozef; Klika, Karel Douglas","4-(9,10-Dihydroacridin-9-ylidene)thiosemicarbazide and its five-membered thiazole and six-membered thiazine derivatives","Acta Crystallographica Section C","2010","66","2","o87","o92","10.1107/S0108270110001277","","","0.71073","MoKα","","0.0548","0.0417","","","0.0909","0.0953","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017501","8.6535","0.0005","18.6374","0.0009","7.835","0.0006","90","","99.372","0.006","90","","1246.75","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(9,10-dihydroacridin-9-ylidene)thiosemicarbazide","","- C14 H12 N4 S -","- C14 H12 N4 S -","- C56 H48 N16 S4 -","4","1","DN3135","Potočňák, Ivan; Imrich, Ján; Danihel, Ivan; Kožíšek, Jozef; Klika, Karel Douglas","4-(9,10-Dihydroacridin-9-ylidene)thiosemicarbazide and its five-membered thiazole and six-membered thiazine derivatives","Acta Crystallographica Section C","2010","66","2","o87","o92","10.1107/S0108270110001277","","","0.71073","MoKα","","0.1078","0.0398","","","0.0696","0.0766","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017502","19.696","0.002","5.3916","0.0008","14.209","0.0016","90","","105.203","0.002","90","","1456.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[μ~8~-4,4'-bipyridine-2,2',6,6'-tetracarboxylato-dilead(II)]","","- C14 H4 N2 O8 Pb2 -","- C14 H4 N2 O8 Pb2 -","- C56 H16 N8 O32 Pb8 -","4","0.5","EG3035","Zhou, Su-Ping; Wu, Xu-Xian; Zu, Chao; Chen, Zi-Lu; Liang, Fu-Pei","Poly[μ~8~-4,4'-bipyridine-2,2',6,6'-tetracarboxylato-dilead(II)]","Acta Crystallographica Section C","2010","66","2","m26","m28","10.1107/S0108270109053736","","","0.71073","MoKα","","0.0384","0.0331","","","0.0841","0.087","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017503","7.3048","0.0011","7.3048","0.0011","6.9003","0.0014","90","","90","","120","","318.87","0.09","294","2","294","2","","","","","","","","3","P 31","P 31","144","","5-ammoniomethyl-1<i>H</i>-tetrazolide","","- C2 H5 N5 -","- C2 H5 N5 -","- C6 H15 N15 -","3","1","EG3037","Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","A tetrazol-5-yl analogue of glycine, 5-ammoniomethyl-1<i>H</i>-tetrazolide, and its copper(II) complex","Acta Crystallographica Section C","2010","66","2","m22","m25","10.1107/S0108270109055164","","","0.71073","MoKα","","0.0296","0.0291","","","0.0775","0.0781","","","","","","1.113","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017504","7.0452","0.0018","8.907","0.002","9.059","0.002","90","","107.8","0.02","90","","541.3","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[bis(μ~2~-5-aminomethyl-1<i>H</i>-tetrazolido- κ^3^<i>N</i>^1^,<i>N</i>5:<i>N</i>^4^)copper(II)] dihydrate]","","- C4 H12 Cu N10 O2 -","- C4 H12 Cu N10 O2 -","- C8 H24 Cu2 N20 O4 -","2","0.5","EG3037","Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","A tetrazol-5-yl analogue of glycine, 5-ammoniomethyl-1<i>H</i>-tetrazolide, and its copper(II) complex","Acta Crystallographica Section C","2010","66","2","m22","m25","10.1107/S0108270109055164","","","0.71073","MoKα","","0.0298","0.0251","","","0.0717","0.0764","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017505","8.3742","0.0002","10.1785","0.0002","11.6146","0.0002","74.958","0.001","84.717","0.001","66.701","0.001","878.04","0.03","293","","293","","","","","","","","","7","P -1","-P 1","2","","Triaqua(μ-7-iodo-8-oxidoquinoline-5-sulfonato-κ^2^<i>N</i>,<i>O</i>^5^)dioxidouranium(VI) dihydrate","","- C9 H12 I N O11 S U -","- C9 H14 I N O11 S U -","- C18 H28 I2 N2 O22 S2 U2 -","2","1","EM3028","Sasikumar, Pandian; Muthiah, Packianathan Thomas","Triaqua(μ-7-iodo-8-oxidoquinoline-5-sulfonato-κ^2^<i>N</i>,<i>O</i>^8^)dioxidouranium(VI) dihydrate","Acta Crystallographica Section C","2010","66","2","m48","m50","10.1107/S0108270109054092","","","0.71073","MoKα","","0.0317","0.026","","","0.0572","0.0591","","","","","","1.037","","","","has coordinates,has Fobs","189213","2020-10-21","18:00:00",""
"2017506","5.8737","0.0009","9.2927","0.0011","9.6759","0.0011","113.04","0.011","90.834","0.013","100.401","0.012","475.9","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","caesium(I) 3-cyano-4-dicyanomethylene-2,5-dioxopyrrolidin-3-ide","","- C8 H Cs N4 O2 -","- C8 H Cs N4 O2 -","- C16 H2 Cs2 N8 O4 -","2","1","FG3147","Tafeenko, Viktor A.; Gurskiy, Stanislav I.; Fazylbekov, Marat F.; Baranov, Andrey N.; Aslanov, Leonid A.","Luminescence properties of the structure built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and caesium(I)","Acta Crystallographica Section C","2010","66","2","m32","m34","10.1107/S0108270109055097","","","0.71073","MoKα","","0.086","0.0534","","","0.1183","0.1343","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017507","10.1264","0.001","28.487","0.003","11.3835","0.0011","90","","90","","90","","3283.8","0.6","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Poly[[<i>trans</i>-diaquabis(μ~2~-biphenyl-2,2'-dicarboxylato)bis(μ~2~-4,4'- bipyridine)dicobalt(II)] biphenyl-2,2'-dicarboxylic acid disolvate]","","- C76 H56 Co2 N4 O18 -","- C38 H28 Co N2 O9 -","- C152 H112 Co4 N8 O36 -","4","1","FN3036","Zhan, Ge; Li, Xin-Hua","Poly[[<i>trans</i>-diaquabis(μ~2~-biphenyl-2,2'-dicarboxylato)bis(μ~2~-4,4'-bipyridine)dicobalt(II)] biphenyl-2,2'-dicarboxylic acid disolvate]","Acta Crystallographica Section C","2010","66","2","m29","m31","10.1107/S0108270109044205","","","0.71073","MoKα","","0.052","0.0452","","","0.0971","0.1003","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017508","7.4496","0.0001","10.0211","0.0002","18.4713","0.0004","90","","99.42","0.001","90","","1360.35","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis(trimethylphenylammonium) [hexa-μ-chlorido-dichloridotricuprate(II)]]","","- C18 H28 Cl8 Cu3 N2 -","- C18 H28 Cl8 Cu3 N2 -","- C36 H56 Cl16 Cu6 N4 -","2","0.5","GA3139","Bond, Marcus R.","<i>catena</i>-Poly[bis(trimethylphenylammonium) [hexa-μ-chlorido-dichloridotricuprate(II)]]: an alternating zigzag chain of CuCl~4~ and Cu~2~Cl~6~ complexes","Acta Crystallographica Section C","2010","66","2","m17","m21","10.1107/S0108270109054560","","","0.71073","MoKα","","0.0775","0.0459","","","0.1136","0.1286","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017509","5.11","0.0009","9.946","0.003","12.107","0.003","100.54","0.02","93.9","0.02","103.53","0.02","584.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","1","0.5","GD3326","Kuś, Piotr; Borek, Jerzy; Jones, Peter G.","Two concomitant polymorphs of <i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","Acta Crystallographica Section C","2010","66","2","o93","o96","10.1107/S0108270110001952","","","1.54184","CuKα","","0.0569","0.0529","","","0.1566","0.1615","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017510","11.5899","0.0006","16.7899","0.0008","13.4785","0.0008","90","","114.667","0.006","90","","2383.5","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C112 H136 N16 O8 -","4","1","GD3326","Kuś, Piotr; Borek, Jerzy; Jones, Peter G.","Two concomitant polymorphs of <i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","Acta Crystallographica Section C","2010","66","2","o93","o96","10.1107/S0108270110001952","","","1.54184","CuKα","","0.0551","0.0549","","","0.1524","0.1525","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017511","14.6031","0.0006","6.2725","0.0003","22.6997","0.0012","90","","90","","90","","2079.25","0.17","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3<i>Z</i>)-3-(1<i>H</i>-pyrrol-2-ylmethylidene)-1<i>H</i>-indol- 2(3<i>H</i>)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0817","0.053","","","0.0998","0.1104","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017512","11.9297","0.0005","10.8294","0.0006","16.6986","0.0009","90","","90","","90","","2157.32","0.19","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(3<i>Z</i>)-3-(2-thienylmethylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C13 H9 N O S -","- C13 H9 N O S -","- C104 H72 N8 O8 S8 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0706","0.0539","","","0.113","0.1245","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017513","19.225","0.0007","5.0503","0.0003","22.1886","0.0014","90","","90","","90","","2154.3","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(3<i>E</i>)-3-(2-furylmethylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one monohydrate","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0854","0.0518","","","0.1057","0.1175","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017514","9.7504","0.0003","10.2281","0.0003","14.053","0.0005","95.766","0.002","107.842","0.002","96.617","0.002","1311.46","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-(1-methylethylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C11 H11 N O -","- C11 H11 N O -","- C66 H66 N6 O6 -","6","3","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.1204","0.0788","","","0.1445","0.1681","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017515","10.6939","0.0002","17.2595","0.0004","12.7714","0.0003","90","","108.322","0.001","90","","2237.73","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(1-methylethylidene)-2-oxo-2,3-dihydro-1<i>H</i>-indole-1-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C104 H104 N8 O24 -","8","2","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0723","0.0488","","","0.1206","0.1344","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017516","5.3732","0.0001","13.4962","0.0004","15.8088","0.0005","95.389","0.001","98.498","0.002","101.201","0.002","1103.32","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-cyclohexylidene-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","2","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.094","0.066","","","0.1199","0.1347","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017517","9.5406","0.0002","8.4295","0.0002","12.4103","0.0003","90","","101.956","0.002","90","","976.42","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","spiro[1,3-dioxane-2,3'-indolin]-2'-one","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.048","0.0386","","","0.0967","0.1032","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017518","20.1789","0.0004","20.1789","0.0004","8.4712","0.0002","90","","90","","90","","3449.37","0.13","100","2","100","2","","","","","","","","3","I 4","I 4","79","","Methyl β-D-galactopyranosyl-(1→4)-α-D-mannopyranoside methanol 0.375-solvate","","- C13.375 H25.5 O11.375 -","- C13 H24 O11 -","- C104 H192 O88 -","8","1","GZ3172","Hu, Xiaosong; Pan, Qingfeng; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-mannopyranoside methanol 0.375-solvate","Acta Crystallographica Section C","2010","66","2","o67","o70","10.1107/S0108270109055012","","","1.54178","CuKα","","0.0455","0.0436","","","0.1029","0.1037","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017519","7.8556","0.0005","8.4155","0.0005","9.155","0.0006","78.524","0.001","69.771","0.001","82.813","0.001","555.5","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(μ~2~-methylquinolin-8-olato)-κ^3^<i>N</i>,<i>O</i>:<i>O</i>; κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(thiocyanato-κ<i>N</i>)lead(II)]","","- C22 H16 N4 O2 Pb2 S2 -","- C22 H16 N4 O2 Pb2 S2 -","- C22 H16 N4 O2 Pb2 S2 -","1","0.5","SF3124","Mohammadnezhad, Gholamhossein; Amini, Mostafa M.; Langer, Vratislav","Two polymorphs of a lead(II) complex with 8-hydroxy-2-methylquinoline and thiocyanate","Acta Crystallographica Section C","2010","66","2","m44","m47","10.1107/S010827011000096X","","","0.71073","MoKα","","0.0367","0.0303","","","0.0699","0.0724","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017520","12.037","0.005","5.731","0.002","16.327","0.006","90","","90.368","0.007","90","","1126.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-methylquinolin-8-olato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>; κ^3^<i>O</i>:<i>N</i>,<i>O</i>)bis[(thiocyanato-κ<i>N</i>)lead(II)]","","- C22 H16 N4 O2 Pb2 S2 -","- C22 H16 N4 O2 Pb2 S2 -","- C44 H32 N8 O4 Pb4 S4 -","2","0.5","SF3124","Mohammadnezhad, Gholamhossein; Amini, Mostafa M.; Langer, Vratislav","Two polymorphs of a lead(II) complex with 8-hydroxy-2-methylquinoline and thiocyanate","Acta Crystallographica Section C","2010","66","2","m44","m47","10.1107/S010827011000096X","","","0.71073","MoKα","","0.0659","0.0381","","","0.0823","0.0898","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017521","9.4669","0.0006","9.9255","0.0006","13.4949","0.0008","90","","104.601","0.001","90","","1227.08","0.13","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-2-(<i>N</i>-{(1<i>S</i>,2<i>S</i>)-2-chloro-1- [(3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>R</i>)-3,4,5-trihydroxy-6- (methylsulfanyl)perhydropyran-2-yl]propyl}aminocarbonyl)-4-propylpyrrolidinium chloride monohydrate","","- C18 H36 Cl2 N2 O6 S -","- C18 H36 Cl2 N2 O6 S -","- C36 H72 Cl4 N4 O12 S2 -","2","1","SF3125","Ravikumar, Krishnan; Sridhar, Balasubramanian","Clindamycin hydrochloride monohydrate and its ethanol solvate","Acta Crystallographica Section C","2010","66","2","o97","o100","10.1107/S0108270110000958","","","0.71073","MoKα","","0.0316","0.0308","","","0.0828","0.0836","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017522","9.963","0.0016","10.6998","0.0017","26.324","0.004","90","","90","","90","","2806.2","0.8","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-2-(<i>N</i>-{(1<i>S</i>,2<i>S</i>)-2-chloro-1- [(3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>R</i>)-3,4,5-trihydroxy-6- (methylsulfanyl)perhydropyran-2-yl]propyl}aminocarbonyl)-4-propylpyrrolidinium chloride monohydrate ethanol solvate","","- C20 H42 Cl2 N2 O7 S -","- C20 H42 Cl2 N2 O7 S -","- C80 H168 Cl8 N8 O28 S4 -","4","1","SF3125","Ravikumar, Krishnan; Sridhar, Balasubramanian","Clindamycin hydrochloride monohydrate and its ethanol solvate","Acta Crystallographica Section C","2010","66","2","o97","o100","10.1107/S0108270110000958","","","0.71073","MoKα","","0.0518","0.0497","","","0.1173","0.1186","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017523","9.8325","0.0003","9.8649","0.0004","12.0365","0.0003","97.468","0.002","95.512","0.002","114.643","0.001","1037.44","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(3-<i>tert</i>-Butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-<i>N</i>- (4-methoxybenzyl)acetamide","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C46 H54 N6 O4 -","2","1","SK3357","Castillo, Juan C.; Abonía, Rodrigo; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","<i>N</i>-(3-<i>tert</i>-Butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-<i>N</i>-(4-methoxybenzyl)acetamide: a hydrogen-bonded chain of centrosymmetric rings","Acta Crystallographica Section C","2010","66","2","o64","o66","10.1107/S0108270109054602","","","0.71073","MoKα","","0.0581","0.0422","","","0.0945","0.1024","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017524","12.5465","0.0001","11.9181","0.0001","12.6531","0.0001","90","","96.7859","0.0006","90","","1878.77","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dicaesium tris[oxidovanadate(IV)] hydrogenphosphate dihydrate","","- Cs2 O21 P4 V3 -","- Cs2 O21 P4 V3 -","- Cs8 O84 P16 V12 -","4","1","SQ3221","Gautier, Romain; Colin, Jean-François; Le Fur, Eric","Two caesium vanadium hydrogenphosphates with tunnelled structures: Cs~2~V~2~O~3~(PO~4~)(HPO~4~) and Cs~2~[(VO)~3~(HPO~4~)~4~(H~2~O)]·H~2~O","Acta Crystallographica Section C","2010","66","2","i12","i15","10.1107/S010827010905433X","","","0.71073","MoKα","","0.0668","0.039","","","0.0854","0.0952","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017525","8.918","0.0002","16.9479","0.0004","7.2199","0.0001","90","","99.092","0.001","90","","1077.52","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicaesium divanadium trioxide phosphate hydrogenphosphate","","- Cs2 O11 P2 V2 -","- Cs2 O11 P2 V2 -","- Cs8 O44 P8 V8 -","4","1","SQ3221","Gautier, Romain; Colin, Jean-François; Le Fur, Eric","Two caesium vanadium hydrogenphosphates with tunnelled structures: Cs~2~V~2~O~3~(PO~4~)(HPO~4~) and Cs~2~[(VO)~3~(HPO~4~)~4~(H~2~O)]·H~2~O","Acta Crystallographica Section C","2010","66","2","i12","i15","10.1107/S010827010905433X","","","0.71073","MoKα","","0.0483","0.0328","","","0.0526","0.0548","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017526","8.8593","0.0008","7.1787","0.0006","10.7955","0.001","90","","91.671","0.001","90","","686.28","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","oxonium neodymium bis(sulfate)","","- H3 Nd O9 S2 -","- H3 Nd O9 S2 -","- H12 Nd4 O36 S8 -","4","1","SQ3229","Zhang, Zaichao; Zhang, Zhibin","(H~3~O)Nd(SO~4~)~2~","Acta Crystallographica Section C","2010","66","2","i9","i11","10.1107/S0108270109054316","","","0.71073","MoKα","","0.0227","0.0214","","","0.0546","0.0555","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017527","8.2533","0.0004","8.2533","0.0004","6.3196","0.0004","90","","90","","120","","372.8","0.03","298","","298","","","","","","","","","3","P 63 m c","P 6c -2c","186","","tripotassium octafluorotantalate","","- F8 K3 Ta -","- F8 K3 Ta -","- F16 K6 Ta2 -","2","0.166667","SQ3230","Smrčok, Ľubomír; Černý, Radovan; Boča, Miroslav; Macková, Iveta; Kubíková, Blanka","K~3~TaF~8~ from laboratory X-ray powder data","Acta Crystallographica Section C","2010","66","2","i16","i18","10.1107/S0108270109055140","powder diffraction","","1.78892","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017528","7.625","0.0005","10.2576","0.0004","10.716","0.0007","95.281","0.004","107.222","0.006","92.001","0.004","795.46","0.08","130","2","130","2","","","","","","","","7","P -1","-P 1","2","glycyl-methionine sulfoxide hydrogen tetrachloroaurate","({(1<i>S</i>,<i>R</i>)-1-carboxy-3-[(<i>R</i>,<i>S</i>)-methylsulfinyl]propyl}aminocarbonyl)methanaminium tetrachloridoaurate(III)","","- C7 H15 Au Cl4 N2 O4 S -","- C7 H15 Au Cl4 N2 O4 S -","- C14 H30 Au2 Cl8 N4 O8 S2 -","2","1","SQ3231","Rychlewska, Urszula; Warzajtis, Beata; Glisic, Biljana D.; Rajkovic, Snezana; Djuran, Miloš","Crystallographic evidence of Gly-<small>D</small>,<small>L</small>-Met oxidation to its sulfoxide in the presence of gold(III): solid solution of the racemic mixture of two diastereoisomers","Acta Crystallographica Section C","2010","66","2","m51","m54","10.1107/S0108270110001666","","","0.71073","MoKα","","0.0168","0.0159","","","0.0411","0.0415","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017529","13.876","0.003","5.7725","0.0008","16.28","0.003","90","","107.799","0.016","90","","1241.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-benzoylmethyl-3-hydroxyindolin-2-one","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0771","0.0566","","","0.1358","0.1439","","","","","","1.195","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017530","6.873","0.002","7.67","0.0017","13.394","0.005","99.48","0.02","101.68","0.03","96.33","0.02","674.4","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-hydroxy-3-[(4-methylbenzoyl)methyl]indolin-2-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0972","0.062","","","0.1404","0.1587","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017531","6.8858","0.0007","7.7074","0.0008","12.701","0.0009","98.229","0.007","103.667","0.007","96.034","0.009","641.43","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-hydroxy-3-[(4-fluorobenzoyl)methyl]indolin-2-one","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C32 H24 F2 N2 O6 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0967","0.0533","","","0.1221","0.1508","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017532","6.987","0.002","7.689","0.004","12.907","0.004","99.3","0.03","101.82","0.04","96.33","0.03","662.4","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-hydroxy-3-[(4-chlorobenzoyl)methyl]indolin-2-one","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C32 H24 Cl2 N2 O6 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0635","0.0431","","","0.1008","0.114","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017533","7.016","0.003","7.7349","0.0012","13.052","0.006","99.69","0.03","101.51","0.04","96.7","0.03","675.8","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-[(4-bromobenzoyl)methyl]-3-hydroxyindolin-2-one","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C32 H24 Br2 N2 O6 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0614","0.0399","","","0.0792","0.087","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017534","7.026","0.001","7.598","0.003","13.365","0.004","97.54","0.03","102.67","0.02","96.46","0.02","682.7","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-hydroxy-3-[(4-nitrobenzoyl)methyl]indolin-2-one","","- C16 H12 N2 O5 -","- C16 H12 N2 O5 -","- C32 H24 N4 O10 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.1238","0.0571","","","0.1247","0.1578","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017535","6.5958","0.0007","7.9577","0.0014","12.045","0.003","78.51","0.02","76.555","0.013","84.559","0.015","601.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-hydroxy-3-(2-thienylcarbonylmethyl)indolin-2-one","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C28 H22 N2 O6 S2 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0672","0.045","","","0.1014","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017536","12.3461","0.0003","19.7566","0.0005","28.4452","0.0007","90","","92.818","0.002","90","","6929.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(II) bis(perchlorate) dichloromethane disolvate","","- C59 H73 Cl6 Co N3 O14 P2 -","- C59.075 H73.15 Cl6.15 Co N3 O14 P2 -","- C236.3 H292.6 Cl24.6 Co4 N12 O56 P8 -","4","1","TR3058","Becker, Clifford A. L.; Black, Robert S.; Forbes, Roy P.","Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(I) perchlorate dichloromethane disolvate and tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(II) bis(perchlorate) dichloromethane disolvate: modification of a trigonal‒bipyramidal structure with change of metal oxidation state","Acta Crystallographica Section C","2010","66","2","m40","m43","10.1107/S0108270109054626","","","0.71073","MoKα","","","0.0512","","","","0.1459","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017537","21.7568","0.0003","21.7568","0.0003","23.3983","0.0006","90","","90","","120","","9591.9","0.3","173","2","173","2","","","","","","","","7","P 63/m","-P 6c","176","","Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(I) perchlorate dichloromethane disolvate","","- C59 H73 Cl5 Co N3 O10 P2 -","- C59 H74 Cl5 Co N3 O10 P2 -","- C354 H444 Cl30 Co6 N18 O60 P12 -","6","0.5","TR3058","Becker, Clifford A. L.; Black, Robert S.; Forbes, Roy P.","Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(I) perchlorate dichloromethane disolvate and tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(II) bis(perchlorate) dichloromethane disolvate: modification of a trigonal‒bipyramidal structure with change of metal oxidation state","Acta Crystallographica Section C","2010","66","2","m40","m43","10.1107/S0108270109054626","","","0.71073","MoKα","","","0.0473","","","","0.152","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017538","9.734","0.003","15.993","0.005","10.827","0.004","90","","107.488","0.005","90","","1607.6","0.9","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-4a,8a-dihydroxyperhydronaphthalene-2,3,6,7-tetrayl tetrabenzoate","","- C38 H34 O10 -","- C38 H34 O10 -","- C76 H68 O20 -","2","0.5","TR3062","Mehta, Goverdhan; Sen, Saikat","Modulating the preferred O—H···O hydrogen-bonding motif in a conformationally constrained environment through hydroxy-group derivatization","Acta Crystallographica Section C","2010","66","2","o59","o63","10.1107/S0108270109054870","","","0.71073","MoKa","","0.0719","0.0451","","","0.1046","0.1181","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017539","9.888","0.007","14.747","0.01","10.417","0.007","90","","110.444","0.01","90","","1423.3","1.7","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>R</i>*,3<i>R</i>*,4a<i>S</i>*,8a<i>S</i>*)-4a,8a-dihydroxyperhydronaphthalene-2,3-diyl diacetate","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","TR3062","Mehta, Goverdhan; Sen, Saikat","Modulating the preferred O—H···O hydrogen-bonding motif in a conformationally constrained environment through hydroxy-group derivatization","Acta Crystallographica Section C","2010","66","2","o59","o63","10.1107/S0108270109054870","","","0.71073","MoKa","","0.0547","0.0415","","","0.0976","0.1039","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017540","16.246","0.003","11.167","0.002","11.829","0.002","90","","92.219","0.006","90","","2144.4","0.7","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>R</i>*,3<i>R</i>*,4a<i>S</i>*,8a<i>S</i>*)-4a,8a-dihydroxyperhydronaphthalene-2,3-diyl dibenzoate","","- C24 H26 O6 -","- C24 H26 O6 -","- C96 H104 O24 -","4","1","TR3062","Mehta, Goverdhan; Sen, Saikat","Modulating the preferred O—H···O hydrogen-bonding motif in a conformationally constrained environment through hydroxy-group derivatization","Acta Crystallographica Section C","2010","66","2","o59","o63","10.1107/S0108270109054870","","","0.71073","MoKa","","0.1926","0.0473","","","0.0725","0.1119","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017541","12.6621","0.0007","3.75947","0.00018","26.7435","0.0016","90","","114.208","0.002","90","","1161.12","0.11","225","1","225","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyrimidin-1-ium hydrogen chloranilate monohydrate","","- C10 H8 Cl2 N2 O5 -","- C10 H8 Cl2 N2 O5 -","- C40 H32 Cl8 N8 O20 -","4","1","EG3036","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Two solid phases of pyrimidin-1-ium hydrogen chloranilate monohydrate determined at 225 and 120K","Acta Crystallographica Section C","2010","66","3","o114","o118","10.1107/S010827011000363X","","","0.71075","MoKα","","0.0299","0.027","","","0.0729","0.0751","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017542","25.5952","0.0009","3.71581","0.00013","26.3761","0.0009","90","","114.529","0.0013","90","","2282.16","0.14","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pyrimidin-1-ium hydrogen chloranilate monohydrate","","- C10 H8 Cl2 N2 O5 -","- C10 H8 Cl2 N2 O5 -","- C80 H64 Cl16 N16 O40 -","8","2","EG3036","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Two solid phases of pyrimidin-1-ium hydrogen chloranilate monohydrate determined at 225 and 120K","Acta Crystallographica Section C","2010","66","3","o114","o118","10.1107/S010827011000363X","","","0.71075","MoKα","","0.0346","0.029","","","0.0755","0.0779","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017543","9.6282","0.0009","15.2848","0.0014","20.391","0.002","90","","101.376","0.008","90","","2941.9","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound (V)","2-(Diphenylphosphinoylmethyl)pyrrole‒2-(diphenylphosphinomethyl)pyrrole (0.43/0.57)","","- C17 H16 N O0.42 P -","- C17 H16 N O0.4305 P -","- C136 H128 N8 O3.444 P8 -","8","2","EM3032","Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A.","2-(Diphenylphosphinoylmethyl)pyrrole‒2-(diphenylphosphinomethyl)pyrrole (0.43/0.57) and tetrachlorido(5-diphenylphosphinomethyl-2<i>H</i>-pyrrole-κ^2^<i>N</i>,<i>P</i>)titanium(IV)","Acta Crystallographica Section C","2010","66","3","m79","m82","10.1107/S0108270110004506","","","0.71073","MoKα","","0.1373","0.0651","","","0.0798","0.095","","","","","","1.013","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017544","8.1481","0.0017","8.6323","0.0016","14.202","0.003","98.159","0.015","98.727","0.016","100.588","0.016","955.6","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","Compound (VI)","tetrachlorido(5-diphenylphosphinomethyl-2<i>H</i>-pyrrole- κ^2^<i>N</i>,<i>P</i>)titanium(IV)","","- C17 H16 Cl4 N P Ti -","- C17 H16 Cl4 N P Ti -","- C34 H32 Cl8 N2 P2 Ti2 -","2","1","EM3032","Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A.","2-(Diphenylphosphinoylmethyl)pyrrole‒2-(diphenylphosphinomethyl)pyrrole (0.43/0.57) and tetrachlorido(5-diphenylphosphinomethyl-2<i>H</i>-pyrrole-κ^2^<i>N</i>,<i>P</i>)titanium(IV)","Acta Crystallographica Section C","2010","66","3","m79","m82","10.1107/S0108270110004506","","","0.71073","MoKα","","0.1329","0.0566","","","0.0838","0.0984","","","","","","0.889","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017545","12.02","0.02","5.15","0.002","7.198","0.004","90","","122.08","0.1","90","","377.5","0.8","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Thallium Carbonate","Dithallium carbonate","","- C O3 Tl2 -","- C O3 Tl2 -","- C4 O12 Tl8 -","4","0.5","FA3213","Grzechnik, A.; Friese, K.","Crystal structure and stability of Tl~2~CO~3~ at high pressures","Acta Crystallographica Section C","2010","66","3","i37","i38","10.1107/S0108270110005652","","","0.71073","MoKα","","0.1624","0.0909","","","0.085","0.0884","","","","","","2.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017546","9.9418","0.0008","9.3619","0.0005","10.9337","0.0013","90","","90","","90","","1017.64","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>O</i>-ethyl benzoylthiocarbamate","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C40 H44 N4 O8 S4 -","4","1","FA3214","Insuasty, Henry; Castro, Edison; Sánchez, Edison; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates","Acta Crystallographica Section C","2010","66","3","o141","o146","10.1107/S0108270110005032","","","0.71073","MoKα","","0.0986","0.0482","","","0.1048","0.1303","","","","","","1.139","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017547","12.2845","0.0014","9.1431","0.0017","9.7897","0.0004","90","","90.182","0.007","90","","1099.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>O</i>-ethyl (4-methylbenzoyl)thiocarbamate","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","FA3214","Insuasty, Henry; Castro, Edison; Sánchez, Edison; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates","Acta Crystallographica Section C","2010","66","3","o141","o146","10.1107/S0108270110005032","","","0.71073","MoKα","","0.093","0.0486","","","0.111","0.1343","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017548","7.247","0.0016","8.887","0.0007","10.737","0.001","100.691","0.007","99.984","0.013","107.307","0.011","629.19","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>O</i>,<i>S</i>-diethyl (4-methylbenzoyl)imidothiocarbonate","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C26 H34 N2 O4 S2 -","2","1","FA3214","Insuasty, Henry; Castro, Edison; Sánchez, Edison; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates","Acta Crystallographica Section C","2010","66","3","o141","o146","10.1107/S0108270110005032","","","0.71073","MoKα","","0.0719","0.0597","","","0.161","0.1671","","","","","","1.179","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017549","7.8028","0.0014","9.48","0.002","9.86","0.002","69.545","0.013","75.683","0.014","69.548","0.015","633.7","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>O</i>,<i>S</i>-diethyl (4-chlorobenzoyl)imidothiocarbonate","","- C12 H14 Cl N O2 S -","- C12 H14 Cl N O2 S -","- C24 H28 Cl2 N2 O4 S2 -","2","1","FA3214","Insuasty, Henry; Castro, Edison; Sánchez, Edison; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates","Acta Crystallographica Section C","2010","66","3","o141","o146","10.1107/S0108270110005032","","","0.71073","MoKα","","0.0753","0.0454","","","0.1014","0.119","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017550","12.3017","0.0001","17.1436","0.0001","15.8633","0.0001","90","","103.301","0.0005","90","","3255.75","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ~2~-4-aminobenzoato)di-μ~3~-oxido-tetrakis[dibutyltin(IV)]","","- C60 H96 N4 O10 Sn4 -","- C60 H96 N4 O10 Sn4 -","- C120 H192 N8 O20 Sn8 -","2","0.5","FG3152","Linden, Anthony; Basu Baul, Tushar S.; Das, Pradip","Tetrakis(μ~2~-4-aminobenzoato)di-μ~3~-oxido-tetrakis[dibutyltin(IV)]","Acta Crystallographica Section C","2010","66","3","m58","m61","10.1107/S0108270110003033","","","0.71073","MoKα","","0.0447","0.0322","","","0.0719","0.0782","","","","","","1.134","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2017551","8.8599","0.0008","15.0248","0.0014","5.8952","0.0004","90","","90","","90","","784.76","0.11","130","2","130","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>p</i>-phenylenedimamine dihydrate","","- C6 H12 N2 O2 -","- C6 H12 N2 O2 -","- C24 H48 N8 O8 -","4","0.5","FG3154","Czapik, Agnieszka; Konowalska, Hanna; Gdaniec, Maria","<i>p</i>-Phenylenediamine and its dihydrate: two-dimensional isomorphism and mechanism of the dehydration process, and N—H···N and N—H···π interactions","Acta Crystallographica Section C","2010","66","3","o128","o132","10.1107/S010827011000541X","","","0.71073","MoKα","","0.0442","0.0317","","","0.0791","0.0859","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017552","8.302","0.0002","5.897","0.0001","22.76","0.0005","90","","93.579","0.002","90","","1112.09","0.04","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>p</i>-phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","2","FG3154","Czapik, Agnieszka; Konowalska, Hanna; Gdaniec, Maria","<i>p</i>-Phenylenediamine and its dihydrate: two-dimensional isomorphism and mechanism of the dehydration process, and N—H···N and N—H···π interactions","Acta Crystallographica Section C","2010","66","3","o128","o132","10.1107/S010827011000541X","","","0.71073","MoKα","","0.0416","0.0309","","","0.0795","0.0817","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017553","8.7666","0.0012","9.5089","0.0013","9.7804","0.0013","99.152","0.004","101.983","0.004","113.91","0.004","701.61","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","hexakis(ethylene glycol)disodium bis(ethyleneglycolato)-copper(II)","bis(μ-ethylene glycol)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(ethylene glycol-κ^2^<i>O</i>,<i>O</i>')(ethylene glycol-κ<i>O</i>)sodium] bis(ethylene glycolato-κ<i>O</i>,<i>O</i>')copper(II)","","- C16 H44 Cu Na2 O16 -","- C16 H43.822 Cu Na2 O16 -","- C16 H43.822 Cu Na2 O16 -","1","0.5","FG3156","Rivers, Joseph H.; Carroll, Kyler J.; Jones, Richard A.; Carpenter, Everett E.","A copper‒polyol complex: [Na~2~(C~2~H~6~O~2~)~6~][Cu(C~2~H~4~O~2~)~2~]","Acta Crystallographica Section C","2010","66","3","m83","m85","10.1107/S0108270110006311","","","0.71069","MoKα","","0.0393","0.0342","","","0.0773","0.0797","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017554","11.7","0.001","15.59","0.001","5.03","0.001","90","","98","0.01","90","","908.6","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Iron aluminium tris(dihydrogenphosphate)","","- Al0.19 Fe0.81 H6 O12 P3 -","- Al0.193 Fe0.807 H6 O12 P3 -","- Al0.772 Fe3.228 H24 O48 P12 -","4","1","FN3041","Belfguira, Nadia; Walha, Siwar; Ben Salah, Abdelhamid; Fransolet, André Mathieu; Kabadou, Ahlem","The solid solution (Fe~0.81~Al~0.19~)(H~2~PO~4~)~3~ with a strong hydrogen bond","Acta Crystallographica Section C","2010","66","3","i33","i36","10.1107/S0108270110001344","","","0.71073","MoKα","","0.0318","0.0287","","","0.0722","0.074","","","","","","1.042","","","","has coordinates,has Fobs","201369","2020-10-21","18:00:00",""
"2017555","9.0522","0.0013","9.0522","0.0013","26.964","0.005","90","","90","","120","","1913.5","0.5","295","2","295","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","dilanthanum(III) lead(II) bis[tetrasulfidosilicate(IV)]","","- La2 Pb S8 Si2 -","- La2.088 Pb0.912 S8 Si2 -","- La12.528 Pb5.472 S48 Si12 -","6","0.166667","FN3045","Gulay, L. D.; Daszkiewicz, M.; Ruda, I. P.; Marchuk, O. V.","La~2~Pb(SiS~4~)~2~","Acta Crystallographica Section C","2010","66","3","i19","i21","10.1107/S0108270110000247","","","0.71073","MoKα","","0.0161","0.0152","","","0.0432","0.0434","","","","","","1.22","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017556","17.1373","0.0003","16.4776","0.0003","16.6127","0.0003","90","","119.08","0.001","90","","4099.77","0.13","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pyrimethaminium 4-methylbenzoate","2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 4-methylbenzoate","","- C20 H21 Cl N4 O2 -","- C20 H21 Cl N4 O2 -","- C160 H168 Cl8 N32 O16 -","8","1","GA3142","Thanigaimani, Kaliyaperumal; Muthiah, Packianathan Thomas","Hydrogen-bonded supramolecular motifs in pyrimethaminium 4-methylbenzoate, pyrimethaminium 3-hydroxypicolinate and pyrimethaminium 2,4-dichlorobenzoate","Acta Crystallographica Section C","2010","66","3","o104","o108","10.1107/S0108270110002337","","","0.71073","MoKα","","0.0678","0.0469","","","0.1264","0.1443","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017557","11.2563","0.0003","14.3968","0.0004","11.7902","0.0003","90","","103.625","0.001","90","","1856.89","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pyrimethaminium 3-hydroxypicolinate","2,4-diamino-(<i>p</i>-chlorophenyl)-6-ethylpyrimidinium 3-hydroxypicolinate'","","- C18 H18 Cl N5 O3 -","- C18 H18 Cl N5 O3 -","- C72 H72 Cl4 N20 O12 -","4","1","GA3142","Thanigaimani, Kaliyaperumal; Muthiah, Packianathan Thomas","Hydrogen-bonded supramolecular motifs in pyrimethaminium 4-methylbenzoate, pyrimethaminium 3-hydroxypicolinate and pyrimethaminium 2,4-dichlorobenzoate","Acta Crystallographica Section C","2010","66","3","o104","o108","10.1107/S0108270110002337","","","0.71073","MoKα","","0.0751","0.0513","","","0.1379","0.1531","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017558","14.3808","0.0002","12.6799","0.0002","22.4021","0.0003","90","","90","","90","","4084.96","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pyrimethaminium 2,4-dichlorobenzoate","2,4-diamino-(4-chlorophenyl)-6-ethylpyrimidinium 2,4-dichlorobenzoate","","- C19 H17 Cl3 N4 O2 -","- C19 H17 Cl3 N4 O2 -","- C152 H136 Cl24 N32 O16 -","8","1","GA3142","Thanigaimani, Kaliyaperumal; Muthiah, Packianathan Thomas","Hydrogen-bonded supramolecular motifs in pyrimethaminium 4-methylbenzoate, pyrimethaminium 3-hydroxypicolinate and pyrimethaminium 2,4-dichlorobenzoate","Acta Crystallographica Section C","2010","66","3","o104","o108","10.1107/S0108270110002337","","","0.71073","MoKα","","0.0714","0.0424","","","0.1004","0.1181","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017559","11.3143","0.0006","4.7466","0.0002","17.5024","0.0009","90","","108.54","0.003","90","","891.17","0.08","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-chloroanilinium dihydrogen phosphate","","- C6 H9 Cl N O4 P -","- C6 H9 Cl N O4 P -","- C24 H36 Cl4 N4 O16 P4 -","4","1","GD3320","Balamurugan, P.; Jagan, R.; Sivakumar, K.","Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts","Acta Crystallographica Section C","2010","66","3","o109","o113","10.1107/S0108270110001940","","","0.71073","MoKα","","0.0318","0.0295","","","0.0811","0.0838","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017560","9.7371","0.0019","7.8756","0.0016","25.141","0.005","90","","90","","90","","1928","0.7","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-chloroanilinium dihydrogen phosphate","","- C6 H9 Cl N O4 P -","- C6 H9 Cl N O4 P -","- C48 H72 Cl8 N8 O32 P8 -","8","1","GD3320","Balamurugan, P.; Jagan, R.; Sivakumar, K.","Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts","Acta Crystallographica Section C","2010","66","3","o109","o113","10.1107/S0108270110001940","","","0.71073","MoKα","","0.0451","0.0395","","","0.1206","0.1272","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017561","27.2712","0.0006","7.3272","0.0002","15.4592","0.0003","90","","100.389","0.002","90","","3038.44","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[bis(η^5^-cyclopentadienyl)phenylphosphine]dichloridozirconium(IV)","","- C16 H13 Cl2 P Zr -","- C16 H13 Cl2 P Zr -","- C128 H104 Cl16 P8 Zr8 -","8","1","GD3332","Büschel, Susanne; Daniliuc, Constantin; Jones, Peter G.; Tamm, Matthias","The <i>ansa</i>-zirconocene [bis(η^5^-cyclopentadienyl)phenylphosphine]dichloridozirconium(IV)","Acta Crystallographica Section C","2010","66","3","m86","m88","10.1107/S0108270110004531","","","0.71073","MoKα","","0.0385","0.0247","","","0.051","0.0527","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017562","6.675","0.002","23.025","0.005","7.5","0.002","90","","110.946","0.011","90","","1076.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","dipyridinium dioxidobis(oxydiacetato)uranate(VI)","","- C18 H20 N2 O12 U -","- C18 H20 N2 O12 U -","- C36 H40 N4 O24 U2 -","2","0.5","GG3221","Lennartson, Anders; Håkansson, Mikael","Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","Acta Crystallographica Section C","2010","66","3","m69","m74","10.1107/S0108270109053839","","","0.71073","MoKα","","0.0176","0.0156","","","0.0371","0.0377","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017563","9.183","0.002","11.104","0.003","12.826","0.004","90","","111.49","0.007","90","","1216.9","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-methyl-pyridinium) dioxidobis(oxydiacetato)uranate(VI)","","- C20 H24 N2 O12 U -","- C20 H24 N2 O12 U -","- C40 H48 N4 O24 U2 -","2","0.5","GG3221","Lennartson, Anders; Håkansson, Mikael","Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","Acta Crystallographica Section C","2010","66","3","m69","m74","10.1107/S0108270109053839","","","0.71073","MoKα","","0.0352","0.0219","","","0.0528","0.0594","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017564","7.415","0.002","13.312","0.005","11.806","0.004","90","","91.224","0.015","90","","1165.1","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(3-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","","- C20 H24 N2 O12 U -","- C20 H24 N2 O12 U -","- C40 H48 N4 O24 U2 -","2","0.5","GG3221","Lennartson, Anders; Håkansson, Mikael","Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","Acta Crystallographica Section C","2010","66","3","m69","m74","10.1107/S0108270109053839","","","0.71073","MoKα","","0.0581","0.0497","","","0.1235","0.1297","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017565","7.3439","0.0013","12.999","0.002","12.194","0.002","90","","92.438","0.009","90","","1163","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","","- C20 H24 N2 O12 U -","- C20 H24 N2 O12 U -","- C40 H48 N4 O24 U2 -","2","0.5","GG3221","Lennartson, Anders; Håkansson, Mikael","Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","Acta Crystallographica Section C","2010","66","3","m69","m74","10.1107/S0108270109053839","","","0.71073","MoKα","","0.0413","0.0332","","","0.0804","0.0856","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017566","10.377","0.002","23.166","0.005","10.37","0.002","90","","93.22","0.03","90","","2488.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","trichlorido[4'-(<i>p</i>-tolyl)-2,2':6',2''-terpyridine]iridium(III) dimethyl sulfoxide solvate","","- C24 H23 Cl3 Ir N3 O S -","- C24 H23 Cl3 Ir N3 O S -","- C96 H92 Cl12 Ir4 N12 O4 S4 -","4","1","GZ3173","Hinkle, Lindsay M.; Young, Jr, Victor G.; Mann, Kent R.","Mono- and bis-tolylterpyridine iridium(III) complexes","Acta Crystallographica Section C","2010","66","3","m62","m64","10.1107/S0108270110002751","","","0.41328","Synchrotron","","0.0477","0.0366","","","0.0902","0.1006","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017567","14.6977","0.0014","16.3737","0.0016","21.42","0.002","90","","105.639","0.002","90","","4964","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis[4'-(<i>p</i>-tolyl)-2,2':6',2''-terpyridine]iridium(III) tris(hexafluorophosphate) acetonitrile disolvate","","- C48 H40 F18 Ir N8 P3 -","- C48 H40 F18 Ir N8 P3 -","- C192 H160 F72 Ir4 N32 P12 -","4","0.5","GZ3173","Hinkle, Lindsay M.; Young, Jr, Victor G.; Mann, Kent R.","Mono- and bis-tolylterpyridine iridium(III) complexes","Acta Crystallographica Section C","2010","66","3","m62","m64","10.1107/S0108270110002751","","","0.71073","MoKα","","0.0782","0.0508","","","0.1289","0.1455","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017568","5.35502","0.00011","7.96182","0.00014","20.1151","0.0005","90","","92.061","0.002","90","","857.07","0.03","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","2,3,4,6-tetraacetyl-1-fluoro-α-D-glucopyranose","2,3,4,6-tetra-<i>O</i>-acetyl-1-fluoro-α-D-glucopyranose","","- C14 H19 F O9 -","- C14 H19 F O9 -","- C28 H38 F2 O18 -","2","1","JZ3170","Dedola, Simone; Hughes, David L.; Field, Robert A.","Peracetylated α-<small>D</small>-glucopyranosyl fluoride and peracetylated α-maltosyl fluoride","Acta Crystallographica Section C","2010","66","3","o124","o127","10.1107/S0108270110003641","","","0.71073","MoKα","","0.0428","0.0325","","","0.0701","0.0731","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017569","5.63832","0.00009","18.2908","0.0003","14.8144","0.0002","90","","94.4966","0.0015","90","","1523.1","0.04","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 2","2,3,4,6-tetra-<i>O</i>-acetyl-α-D-glucopyranosyl-(1→4)-\ 2,3,6-tri-<i>O</i>-acetyl-1-fluoro-α-D-glucopyranose","","- C26 H35 F O17 -","- C26 H35 F O17 -","- C52 H70 F2 O34 -","2","1","JZ3170","Dedola, Simone; Hughes, David L.; Field, Robert A.","Peracetylated α-<small>D</small>-glucopyranosyl fluoride and peracetylated α-maltosyl fluoride","Acta Crystallographica Section C","2010","66","3","o124","o127","10.1107/S0108270110003641","","","0.71073","MoKα","","0.063","0.0483","","","0.1117","0.1172","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017570","11.617","0.003","17.2235","0.0016","9.062","0.001","90","","111.327","0.01","90","","1689","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5<i>H</i>)-one <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C16 H22 N4 O4 -","- C16 H22 N4 O4 -","- C64 H88 N16 O16 -","4","1","KU3017","Tvedte, Laura M.; Smith, Kenneth L.; Patterson, Eric V.; Baughman, Russell G.","2-Amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5<i>H</i>)-one <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section C","2010","66","3","o101","o103","10.1107/S0108270110000181","","","0.71073","MoKα","","0.1884","0.0572","","","0.1042","0.1439","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017571","12.896","0.003","5.212","0.001","17.549","0.004","90","","104.08","0.03","90","","1144.1","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","barium gadolinium silicate","dibarium digadolinium(III) tetrasilicate","","- Ba2 Gd2 O13 Si4 -","- Ba2 Gd2 O13 Si4 -","- Ba8 Gd8 O52 Si16 -","4","0.5","LG3027","Wierzbicka-Wieczorek, Maria; Kolitsch, Uwe; Tillmanns, Ekkehart","Ba~2~Gd~2~(Si~4~O~13~): a silicate with finite Si~4~O~13~ chains","Acta Crystallographica Section C","2010","66","3","i29","i32","10.1107/S0108270110002842","","","0.71073","MoKα","","0.0474","0.0264","","","0.0417","0.0459","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017572","9.602","0.005","9.259","0.005","13.89","0.006","90","","90","","90","","1234.9","1.1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Strontium bis(tetrafluoroborate)","","- B2 F8 Sr -","- B2 F8 Sr -","- B16 F64 Sr8 -","8","1","LN3136","Goreshnik, Evgeny; Vakulka, Andrii; Žemva, Boris","Strontium tetrafluoroborate. Erratum","Acta Crystallographica Section C","2010","66","3","e9","","10.1107/S0108270109054286","","","0.71069","MoKα","","","0.0593","","","","0.1106","","","","","","1.337","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017573","17.685","0.009","10.69","0.005","12.748","0.007","90","","94.457","0.012","90","","2403","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ammine(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')silver(I) nitrate","","- C10 H11 Ag N4 O3 -","- C10 H11 Ag N4 O3 -","- C80 H88 Ag8 N32 O24 -","8","1","MX3026","Sun, Di; Zhang, Na; Luo, Geng-Geng; Huang, Rong-Bin; Zheng, Lan-Sun","Ammine(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')silver(I) nitrate: a dimer formed by π‒π stacking and ligand-unsupported Ag···Ag interactions","Acta Crystallographica Section C","2010","66","3","m75","m78","10.1107/S010827011000377X","","","0.71073","MoKα","","0.047","0.0438","","","0.1093","0.1116","","","","","","1.211","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017574","14.075","0.004","16.577","0.005","14.041","0.004","90","","112.34","0.03","90","","3030.2","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc^0^‒Gly^1^‒Δ^Z^Phe^2^‒Gly^3^‒Δ^Z^Phe^4^‒Gly^5^‒OH","(<i>Z</i>,<i>Z</i>)-<i>N</i>-(<i>tert</i>- butoxycarbonyl)glycylphenylalanylglycylphenylalanylglycine methanol solvate","","- C30 H37 N5 O9 -","- C30 H37 N5 O9 -","- C120 H148 N20 O36 -","4","1","SK3358","Makowski, Maciej; Lisowski, Marek; Maciag, Anna; Wiktor, Maciej; Szlachcic, Anna; Lis, Tadeusz","Two pentadehydropeptides with different configurations of the ΔPhe residues","Acta Crystallographica Section C","2010","66","3","o119","o123","10.1107/S0108270110003094","","","1.5418","CuKα","","0.0915","0.0695","","","","0.2045","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017575","13.52","0.006","22.922","0.0011","9.795","0.005","90","","97.41","0.05","90","","3010","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc^0^‒Gly^1^‒Δ^E^Phe^2^‒Gly^3^‒Δ^E^Phe^4^‒Gly^5^‒OH","(<i>E</i>,<i>E</i>)-<i>N</i>-(<i>tert</i>- butoxycarbonyl)glycylphenylalanylglycylphenylalanylglycine","","- C29 H33 N5 O8 -","- C29 H33 N5 O8 -","- C116 H132 N20 O32 -","4","1","SK3358","Makowski, Maciej; Lisowski, Marek; Maciag, Anna; Wiktor, Maciej; Szlachcic, Anna; Lis, Tadeusz","Two pentadehydropeptides with different configurations of the ΔPhe residues","Acta Crystallographica Section C","2010","66","3","o119","o123","10.1107/S0108270110003094","","","1.5418","CuKα","","0.0823","0.0531","","","0.1309","0.1399","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017576","7.662","0.0015","10.488","0.002","11.606","0.002","98.24","0.03","91.07","0.03","98.49","0.03","912.1","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol][triaquadisodium(I)][μ-(1<i>S</i>)-<i>N</i>-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol]] tetrahydrate]","","- C12 H24 N4 Na O11.5 -","- C12 H23 N4 Na O11.5 -","- C24 H46 N8 Na2 O23 -","2","2","SK3359","Gainsford, Graeme J.; Furneaux, Richard H.; Tyler, Peter C.; Sauve, Anthony; Shramm, Vern L.","A synchrotron radiation study of the one-dimensional complex of sodium with (1<i>S</i>)-<i>N</i>-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-<small>D</small>-ribitol, a member of the 'immucillin' family","Acta Crystallographica Section C","2010","66","3","m65","m68","10.1107/S0108270110002738","","","0.98","synchrotron","","0.0356","0.0353","","","0.0914","0.0919","","","","","","1.072","","","","has coordinates,has Fobs","183154","2020-10-21","18:00:00",""
"2017577","9.6342","0.0013","33.216","0.005","9.747","0.003","90","","90.237","0.018","90","","3119.1","1.1","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Amino-5-methyl-2-phenyl-6-(phenyldiazenyl)pyrazolo[1,5-<i>a</i>]pyrimidine","","- C19 H16 N6 -","- C19 H16 N6 -","- C152 H128 N48 -","8","2","SK3361","Portilla, Jaime; Estupiñan, Diego; Cobo, Justo; Glidewell, Christopher","7-Amino-5-methyl-2-phenyl-6-(phenyldiazenyl)pyrazolo[1,5-<i>a</i>]pyrimidine crystallizes with <i>Z</i>' = 2: pseudosymmetry and the formation of complex sheets built from N—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","3","o133","o136","10.1107/S0108270110003549","","","0.71073","MoKα","","0.1359","0.0594","","","0.1287","0.1687","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017578","10.013","0.002","12.3487","0.0012","17.666","0.004","90","","90","","90","","2184.4","0.7","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>-{[6-Chloro-4-(4-chlorophenyl)-3-methyl-1-phenyl-1<i>H</i>- pyrazolo[3,4-<i>b</i>]pyridin-5-yl]methylene}benzene-1,2-diamine","","- C26 H19 Cl2 N5 -","- C26 H19 Cl2 N5 -","- C104 H76 Cl8 N20 -","4","1","SK3364","Díaz, Yurina; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-<i>N</i>-{[6-Chloro-4-(4-chlorophenyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl]methylene}benzene-1,2-diamine: a three-dimensional framework structure built from only two hydrogen bonds","Acta Crystallographica Section C","2010","66","3","o137","o140","10.1107/S0108270110004026","","","0.71073","MoKα","","0.1067","0.0566","","","0.1052","0.1266","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017579","4.5992","0.0004","9.0514","0.0008","13.8635","0.0011","90","","90","","90","","577.13","0.08","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","trilanthanum undeca(zinc/magnesium)","","- La6 Mg2.77 Zn19.23 -","- La6 Mg2.766 Zn19.234 -","- La6 Mg2.766 Zn19.234 -","1","0.0625","SQ3225","Pavlyuk, Volodymyr; Rozycka-Sokolowska, Ewa; Marciniak, Bernard","The new ternary phases of La~3~(Zn~0.874~Mg~0.126~)~11~ and Ce~3~(Zn~0.863~Mg~0.137~)~11~","Acta Crystallographica Section C","2010","66","3","i25","i28","10.1107/S0108270110002556","","","0.71073","MoKα","","0.0271","0.023","","","0.0501","0.0507","","","","","","1.109","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2017580","4.5641","0.0006","8.9542","0.0014","13.7261","0.0018","90","","90","","90","","560.96","0.14","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","tricerium undeca(zinc/magnesium)","","- Ce6 Mg3.02 Zn18.98 -","- Ce6 Mg2.692 Zn19.308 -","- Ce6 Mg2.692 Zn19.308 -","1","0.0625","SQ3225","Pavlyuk, Volodymyr; Rozycka-Sokolowska, Ewa; Marciniak, Bernard","The new ternary phases of La~3~(Zn~0.874~Mg~0.126~)~11~ and Ce~3~(Zn~0.863~Mg~0.137~)~11~","Acta Crystallographica Section C","2010","66","3","i25","i28","10.1107/S0108270110002556","","","0.71073","MoKα","","0.028","0.0222","","","0.0485","0.0506","","","","","","1.004","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2017581","13.5073","0.0008","8.8803","0.0005","35.482","0.002","90","","90","","90","","4256","0.4","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate)","","- Ba5 Cl4 H16 O48 P8 V8 -","- Ba5 Cl4 H16 O48 P8 V8 -","- Ba20 Cl16 H64 O192 P32 V32 -","4","","SQ3227","Zhang, Ai-Yun; Zheng, Juan; Wang, Qiu-Fen","Ba~5~Cl~4~(H~2~O)~8~(VPO~5~)~8~: a novel three-dimensional framework solid","Acta Crystallographica Section C","2010","66","3","i22","i24","10.1107/S0108270110001393","","","0.71073","MoKα","","0.0425","0.0308","","","0.0723","0.0781","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017582","9.0059","0.0004","17.2762","0.0007","11.0719","0.0004","90","","91.61","0.002","90","","1721.97","0.12","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","chlorido(cyclohexyldiphenylphosphine)gold(I)","","- C18 H21 Au Cl P -","- C18 H21 Au Cl P -","- C72 H84 Au4 Cl4 P4 -","4","1","SQ3235","Guzei, Ilia A.; Arachchige, Indika; Ivanov, Sergei A.","Two polymorphs of chlorido(cyclohexyldiphenylphosphine)gold(I)","Acta Crystallographica Section C","2010","66","3","m55","m57","10.1107/S0108270110001861","","","0.71073","MoKα","","0.0201","0.017","","","0.0358","0.0366","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017583","13.144","0.0009","11.49","0.0008","13.1056","0.0009","90","","119.786","0.002","90","","1717.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","chlorido(cyclohexyldiphenylphosphine)gold(I)","","- C18 H21 Au Cl P -","- C18 H21 Au Cl P -","- C72 H84 Au4 Cl4 P4 -","4","1","SQ3235","Guzei, Ilia A.; Arachchige, Indika; Ivanov, Sergei A.","Two polymorphs of chlorido(cyclohexyldiphenylphosphine)gold(I)","Acta Crystallographica Section C","2010","66","3","m55","m57","10.1107/S0108270110001861","","","0.71073","MoKα","","0.0316","0.0314","","","0.0881","0.0882","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017584","5.1723","0.0002","10.356","0.0004","12.1866","0.0005","97.765","0.002","97.304","0.002","102.394","0.002","623.43","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N-(ethylammonium)oxamide hydrogen bis(oxamate)","2-(oxamoylamino)ethylammonium oxamate‒oxamic acid (1/1)","","- C8 H15 N5 O8 -","- C8 H15 N5 O8 -","- C16 H30 N10 O16 -","2","1","TR3064","Martinez Belmonte, Marta; Price, Daniel J.","Strong asymmetric hydrogen bonding in 2-(oxamoylamino)ethylammonium oxamate‒oxamic acid (1/1)","Acta Crystallographica Section C","2010","66","3","o147","o150","10.1107/S0108270110004233","","","0.71073","MoKα","","0.0579","0.0399","","","0.0972","0.1057","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017585","9.807","0.0013","7.3982","0.0007","13.738","0.002","90","","105.441","0.011","90","","960.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-2-<i>exo</i>-vinyl-2,3,4,5-tetrahydro-1<i>H</i>- 1,4-epoxy-1-benzazepine","","- C12 H13 N O -","- C12 H13 N O -","- C48 H52 N4 O4 -","4","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0814","0.0446","","","0.092","0.107","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017586","11.0631","0.0007","5.7212","0.0005","21.203","0.006","90","","102.587","0.016","90","","1309.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-8-chloro-9-methyl-2-<i>exo</i>-(2-methylprop-1-enyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H18 Cl N O -","- C15 H18 Cl N O -","- C60 H72 Cl4 N4 O4 -","4","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.1011","0.0677","","","0.1383","0.1548","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017587","8.6828","0.0011","10.1456","0.0006","14.2976","0.0016","90","","107.587","0.009","90","","1200.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-8-chloro-9-methyl-2-<i>exo</i>-(prop-1-en-2-yl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0683","0.0433","","","0.084","0.0925","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017588","10.4753","0.0013","5.4759","0.0008","10.9632","0.0012","90","","105.791","0.013","90","","605.13","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7,9-dichloro-2-<i>exo</i>-(prop-1-en-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C13 H13 Cl2 N O -","- C13 H13 Cl2 N O -","- C26 H26 Cl4 N2 O2 -","2","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0557","0.0445","","","0.1069","0.1146","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017589","9.716","0.003","7.229","0.003","17.406","0.006","90","","90","","90","","1222.5","0.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Imidazolium hydrogen 2,3,5,6-tetrafluoroterephthalate","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","SQ3234","Yu, Li-Li; Cheng, Mei-Ling; Liu, Qi; Zhang, Zhi-Hui; Chen, Qun","Three-dimensional supramolecular architecture in imidazolium hydrogen 2,3,5,6-tetrafluoroterephthalate","Acta Crystallographica Section C","2010","66","4","o179","o181","10.1107/S0108270110004221","","","0.71073","MoKα","","0.0296","0.0265","","","0.0711","0.0735","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017590","8.3989","0.0005","8.535","0.0003","11.4883","0.0005","89.325","0.004","69.014","0.005","67.269","0.004","701.48","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaqua(μ~7~-pyridine-2,3,5,6-tetracarboxylato)dicadmium(II)] monohydrate]","","- C9 H11 Cd2 N O13 -","- C9 H11 Cd2 N O13 -","- C18 H22 Cd4 N2 O26 -","2","1","SQ3239","Yan, Sitang; Shi, Lianxu; Wu, Chuande","Poly[[tetraaqua(μ~7~-pyridine-2,3,5,6-tetracarboxylato)dicadmium(II)] monohydrate]","Acta Crystallographica Section C","2010","66","4","m110","m113","10.1107/S0108270110008085","","","0.71073","MoKα","","0.0307","0.0229","","","0.0432","0.0441","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017591","10.8627","0.0009","11.1883","0.0009","11.3773","0.0011","69.362","0.001","79.777","0.002","74.451","0.001","1241.35","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[bis[diaquacadmium(II)]-μ~2~-<i>trans</i>-1,2- bis(4-pyridyl)ethene]bis{μ~2~-2,2'-[(5-carboxymethoxy-<i>m</i>- phenylene)dioxy]diacetato}] <i>trans</i>-1,2-bis(4-pyridyl)ethene solvate dihydrate]","","- C48 H52 Cd2 N4 O24 -","- C48 H52 Cd2 N4 O24 -","- C48 H52 Cd2 N4 O24 -","1","0.5","BM3089","Wang, Suna; Li, Dacheng; Dou, Jianmin; Wang, Daqi","An unusual polycatenating network self-assembled by the 2D →2D parallel →3D parallel interpenetration of coordinative and hydrogen-bonded (6,3) motifs","Acta Crystallographica Section C","2010","66","4","m118","m121","10.1107/S0108270110009984","","","0.71073","MoKα","","0.037","0.0318","","","0.0753","0.0778","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017592","9.069","0.0018","11.309","0.002","12.594","0.003","115.58","0.03","98.86","0.03","99.76","0.03","1110","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Sodium zoledronate","<i>catena</i>-Poly[[tetraaquabis[hemihydrogen μ~3~-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']bis[μ~3~-1-hydroxy-2-(imidazol-3-ium- 1-yl)ethylidene-1,1-diphosphonato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'']trisodium] dihydrate]","","- C20 H49 N8 Na3 O34 P8 -","- C20 H49 N8 Na3 O34 P8 -","- C20 H49 N8 Na3 O34 P8 -","1","0.5","DN3137","Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo","Zoledronate complexes. II. <i>catena</i>-Poly[[tetraaquabis[hemihydrogen μ~3~-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']bis[μ~3~-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'']trisodium] dihydrate]","Acta Crystallographica Section C","2010","66","4","m122","m126","10.1107/S010827011001022X","","","0.71073","MoKα","","0.0665","0.0561","","","0.1626","0.1698","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017593","6.8262","0.0009","10.1914","0.0013","18.834","0.002","98.825","0.002","90.804","0.002","98","0.002","1281.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Benzene-1,4-diboronic acid‒4,4'-bipyridine‒water (1/2/2)","","- C26 H28 B2 N4 O6 -","- C26 H28 B2 N4 O6 -","- C52 H56 B4 N8 O12 -","2","1","DN3139","Vega, Araceli; Zarate, Maria; Tlahuext, Hugo; Höpfl, Herbert","Benzene-1,4-diboronic acid‒4,4'-bipyridine‒water (1/2/2)","Acta Crystallographica Section C","2010","66","4","o219","o221","10.1107/S0108270110009121","","","0.71073","MoKα","","0.0617","0.0477","","","0.1209","0.129","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017594","7.5165","0.0001","11.6572","0.0003","17.6917","0.0005","90","","92.701","0.002","90","","1548.45","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-bromophenyl)-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>- pyrazolo[3,4-<i>b</i>]pyridine","","- C19 H16 Br N3 -","- C19 H16 Br N3 -","- C76 H64 Br4 N12 -","4","1","EG3040","Quiroga, Jairo; Trilleras, Jorge; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded dimer in 6-(4-bromophenyl)-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine and a chain of rings built from N—H···N and C—H···π(pyridine) hydrogen bonds in 3-(4-nitrophenyl)-4-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section C","2010","66","4","o163","o167","10.1107/S0108270110006451","","","0.71073","MoKα","","0.0385","0.0292","","","0.0658","0.0694","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017595","7.0408","0.0001","9.636","0.0003","11.1961","0.0003","84.906","0.001","89.177","0.002","81.012","0.002","747.31","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-(4-nitrophenyl)-4-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C36 H24 N8 O4 -","2","1","EG3040","Quiroga, Jairo; Trilleras, Jorge; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded dimer in 6-(4-bromophenyl)-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine and a chain of rings built from N—H···N and C—H···π(pyridine) hydrogen bonds in 3-(4-nitrophenyl)-4-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section C","2010","66","4","o163","o167","10.1107/S0108270110006451","","","0.71073","MoKα","","0.0494","0.0384","","","0.0944","0.1012","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017596","14.71917","0.00018","14.71917","0.00018","18.9694","0.0003","90","","90","","120","","3559.19","0.08","85","0.1","85","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Tris(diethylammonium) hexachloridoantimonate(III)","","- C12 H36 Cl6 N3 Sb -","- C12 H36 Cl6 N3 Sb -","- C72 H216 Cl36 N18 Sb6 -","6","0.333333","EM3030","Bujak, Maciej","Octahedral distortion caused by hydrogen bonding in tris(diethylammonium) hexachloridoantimonate(III)","Acta Crystallographica Section C","2010","66","4","m101","m103","10.1107/S0108270110006074","","","0.71073","MoKα","","0.0095","0.0082","","","0.018","0.0296","","","","","","1.478","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017597","13.806","0.003","5.066","0.001","11.705","0.002","90","","102.87","0.03","90","","798.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-chloropyridin-2-amine‒(2<i>E</i>)-but-2-enedioate (2/1)","","- C14 H14 Cl2 N4 O4 -","- C14 H14 Cl2 N4 O4 -","- C28 H28 Cl4 N8 O8 -","2","0.5","FA3217","Perpétuo, Genivaldo Julio; Janczak, Jan","Hydrogen-bonded networks in 5-chloropyridin-2-amine‒fumaric acid (2/1) and 2-aminopyridinium <small>DL</small>-malate","Acta Crystallographica Section C","2010","66","4","o225","o228","10.1107/S010827011000987X","","","0.71073","MoKα","","0.051","0.0414","","","0.1061","0.1166","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017598","7.619","0.0015","7.473","0.0015","19.042","0.004","90","","99.85","0.03","90","","1068.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminopyridinium DL-malate","2-aminopyridinium DL-3-carboxy-2-hydroxypropanoate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","1","FA3217","Perpétuo, Genivaldo Julio; Janczak, Jan","Hydrogen-bonded networks in 5-chloropyridin-2-amine‒fumaric acid (2/1) and 2-aminopyridinium <small>DL</small>-malate","Acta Crystallographica Section C","2010","66","4","o225","o228","10.1107/S010827011000987X","","","0.71073","MoKα","","0.1238","0.0593","","","0.0726","0.0836","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017599","10.7475","0.0007","10.7842","0.0012","20.5812","0.0019","90","","91.688","0.007","90","","2384.4","0.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-exo-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","2","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.0848","0.0464","","","0.1022","0.1226","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017600","8.2405","0.0014","11.5432","0.0016","27.442","0.002","90","","101.03","0.013","90","","2562.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-exo-(4-chlorophenyl)-2,3,4,5-tetrahydro-1<i>H</i>- 1,4-epoxy-1-benzazepine","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C128 H112 Cl8 N8 O8 -","8","2","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.1036","0.0501","","","0.0903","0.1077","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017601","10.9966","0.0017","23.691","0.01","10.6323","0.0008","90","","111.661","0.008","90","","2574.3","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-exo-(3-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4- epoxy-1-benzazepine","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","2","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.094","0.0565","","","0.1013","0.1144","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017602","5.5214","0.0003","10.2982","0.0012","22.9","0.003","90","","90","","90","","1302.1","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-bromo-2-exo-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4- epoxy-1-benzazepine","","- C16 H14 Br N O -","- C16 H14 Br N O -","- C64 H56 Br4 N4 O4 -","4","1","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.0458","0.0324","","","0.0598","0.0639","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017603","15.3626","0.0016","11.5436","0.0013","7.8832","0.0013","90","","96.08","0.011","90","","1390.1","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-exo-(4-bromophenyl)-7-chloro-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H13 Br Cl N O -","- C16 H13 Br Cl N O -","- C64 H52 Br4 Cl4 N4 O4 -","4","1","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.0738","0.0411","","","0.0835","0.0948","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017604","17.753","0.01","17.753","0.01","12.756","0.007","90","","90","","120","","3482","3","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H14 F4 N4 O2 -","- C14 H14 F4 N4 O2 -","- C126 H126 F36 N36 O18 -","9","0.5","FG3149","Xu, Huan; Mi, Jin-Ling; Hu, Zhao-Jian; Guo, Xiu-Kai; Chen, Qun","An ice-like water hexamer with øverline{3} symmetry in the hydrogen-bonded structure of 2,3,5,6-tetrafluoro-1,4-bis(imidazol-1-ylmethyl)benzene dihydrate","Acta Crystallographica Section C","2010","66","4","o151","o153","10.1107/S0108270110007572","","","0.71073","MoKα","","0.0465","0.0415","","","0.1293","0.1344","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017605","9.4334","0.0002","10.028","0.0003","10.4651","0.0003","112.954","0.001","92.429","0.001","102.055","0.001","883.02","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-[(2-hydroxyethyl)amino]cyclohexanol","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","2","FG3157","de Sousa, Alvaro S.; Hlam, Zanele; Fernandes, Manuel A.; Marques, Helder M.","Hydrogen-bonding controls the solid-state and enantiomeric comformations of the amino alcohol ligand 2-[(2-hydroxyethyl)amino]cyclohexanol","Acta Crystallographica Section C","2010","66","4","o229","o232","10.1107/S0108270110009820","","","0.71073","MoKα","","0.0462","0.0369","","","0.0965","0.103","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017606","7.533","0.0017","7.835","0.0015","20.098","0.004","90","","90","","90","","1186.2","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","benzene-1,2-diamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","FG3158","Czapik, Agnieszka; Gdaniec, Maria","A new polymorph of benzene-1,2-diamine: isomorphism with 2-aminophenol and two-dimensional isostructurality of polymorphs","Acta Crystallographica Section C","2010","66","4","o198","o201","10.1107/S0108270110008474","","","0.71073","MoKα","","0.0588","0.0355","","","0.0827","0.0883","","","","","","0.935","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017607","11.1304","0.0017","15.25","0.002","18.098","0.003","99.305","0.004","90.01","0.003","100.168","0.003","2982.6","0.8","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","Tri-<i>tert</i>-butyl 3-oxo-4-oxa-1,8,11-triazaspiro[5.6]dodecane-1,8,11-triacetate","","- C26 H45 N3 O8 -","- C26 H45 N3 O8 -","- C104 H180 N12 O32 -","4","2","FN3037","Sengar, Raghvendra Singh; Geib, Steven J.; Nigam, Archana; Wiener, Erik C.","Tri-<i>tert</i>-butyl 3-oxo-4-oxa-1,8,11-triazaspiro[5.6]dodecane-1,8,11-triacetate","Acta Crystallographica Section C","2010","66","4","o174","o175","10.1107/S0108270109049361","","","0.71073","MoKα","","0.092","0.0606","","","0.1539","0.1701","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017608","9.3001","0.0004","11.2399","0.0005","15.101","0.0006","90","","90","","90","","1578.54","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tricaesium calcium iron bis(diphosphate)","","- Ca Cs3 Fe O14 P4 -","- Ca Cs3 Fe O14 P4 -","- Ca4 Cs12 Fe4 O56 P16 -","4","1","FN3046","Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Babaryk, Artem A.; Slobodyanik, Nikolay S.","The triple pyrophosphate Cs~3~CaFe(P~2~O~7~)~2~","Acta Crystallographica Section C","2010","66","4","i39","i41","10.1107/S0108270110007195","","","0.71073","MoKα","","0.0489","0.0357","","","0.061","0.0685","","","","","","0.971","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017609","7.3752","0.0006","6.3516","0.0004","13.8654","0.0011","90","","103.648","0.004","90","","631.18","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-amino-8-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)imidazo[1,2-<i>a</i>]- 1,3,5-triazin-4(8<i>H</i>)-one monohydrate","","- C10 H14 F N5 O5 -","- C10 H14 F N5 O5 -","- C20 H28 F2 N10 O10 -","2","1","GD3329","Jiang, Dawei; Budow, Simone; Glaçon, Virginie; Eickmeier, Henning; Reuter, Hans; He, Yang; Seela, Frank","2-Amino-8-(2-deoxy-2-fluoro-β-<small>D</small>-arabinofuranosyl)imidazo[1,2-<i>a</i>][1,3,5]triazin-4(8<i>H</i>)-one monohydrate, a 2'-deoxyguanosine analogue with an altered Watson‒Crick recognition site","Acta Crystallographica Section C","2010","66","4","o194","o197","10.1107/S0108270110008036","","","0.71073","MoKα","","0.0352","0.0308","","","0.0763","0.0789","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017610","14.7443","0.0006","5.7669","0.0002","12.0082","0.0003","90","","106.119","0.002","90","","980.9","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Amino-1-benzoyl-3-methylpyrazole","(5-amino-3-methylpyrazol-1-yl)(phenyl)methanone","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","GG3230","Quiroga, Jairo; Portilla, Jaime; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","5-Amino-1-benzoyl-3-methylpyrazole: complex sheets built from N—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","4","o159","o162","10.1107/S0108270110006980","","","0.71073","MoKα","","0.0633","0.0537","","","0.11","0.1129","","","","","","1.197","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017611","10.052","0.004","5.299","0.004","12.976","0.008","90","","91.1","0.04","90","","691","0.7","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-7-fluoro-2-<i>exo</i>-[(<i>E</i>)-styryl]-2,3,4,5-\ tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H16 F N O -","- C18 H16 F N O -","- C36 H32 F2 N2 O2 -","2","1","GG3231","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in (2<i>S</i>*,4<i>R</i>*)-7-fluoro-2-<i>exo</i>-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","Acta Crystallographica Section C","2010","66","4","o206","o208","10.1107/S010827011000884X","","","0.71073","MoKα","","0.0775","0.0493","","","0.0948","0.1067","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017612","4.793","0.003","11.365","0.007","36.79","0.02","90","","90","","90","","2004","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(β-D-Erythrofuranosyl)adenosine","","- C9 H11 N5 O3 -","- C9 H11 N5 O3 -","- C72 H88 N40 O24 -","8","2","GT3016","Kline, Paul C.; Zhao, Hongqiu; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.","1-(β-<small>D</small>-Erythrofuranosyl)adenosine","Acta Crystallographica Section C","2010","66","4","o215","o218","10.1107/S0108270110008024","","","0.7749","synchrotron","","0.0546","0.0472","","","0.1206","0.1258","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017613","6.9634","0.0011","9.3732","0.0014","10.9416","0.0017","90","","90","","90","","714.15","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-pyrazol-1-ylethylammonium chloride","","- C5 H10 Cl N3 -","- C5 H10 Cl N3 -","- C20 H40 Cl4 N12 -","4","1","KU3022","Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James","Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride","Acta Crystallographica Section C","2010","66","4","m89","m96","10.1107/S010827011000572X","","","0.71073","Mo-Kα","","0.023","0.0224","","","0.0592","0.0598","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017614","6.258","0.002","6.653","0.003","8.369","0.003","83.57","0.03","86.37","0.05","86.19","0.02","344.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diaqua-dichlorido-bis(hydroxyethylammonium)cobalt(II) dichloride","","- C4 H20 Cl4 Co N2 O4 -","- C4 H20 Cl4 Co N2 O4 -","- C4 H20 Cl4 Co N2 O4 -","1","0.5","KU3022","Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James","Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride","Acta Crystallographica Section C","2010","66","4","m89","m96","10.1107/S010827011000572X","","","0.71073","Mo-Kα","","0.0182","0.0182","","","0.0468","0.0468","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017615","9.2077","0.0018","4.9369","0.001","15.074","0.003","90","","92.15","0.03","90","","684.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","strontium copper(II) phosphate(V) (2.88/3.12/4)","strontium copper(II) phosphate(V) (2.88/3.12/4)","","- Cu3.12 O16 P4 Sr2.88 -","- Cu3.12 O16 P4 Sr2.88 -","- Cu6.24 O32 P8 Sr5.76 -","2","0.5","LG3029","Karanović, Ljiljana; Šutović, Sabina; Poleti, Dejan; Dordević, Tamara; Pačevski, Aleksandar","Substitutional and positional disorder in Sr~2.88~Cu~3.12~(PO~4~)~4~","Acta Crystallographica Section C","2010","66","4","i42","i44","10.1107/S0108270110007146","","","0.71073","MoKα","","0.0461","0.038","","","0.0798","0.0826","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017616","11.3363","0.0002","9.3622","0.0001","14.4053","0.0002","90","","104.846","0.0006","90","","1477.84","0.04","135","1","135","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ- croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]","","- C15 H12 Mn N2 O7 -","- C15 H12 Mn N2 O7 -","- C60 H48 Mn4 N8 O28 -","4","1","LN3137","Chen, Hong-Feng; Fang, Qi; Chen, Hong-Yu; Yu, Wen-Tao; Weng, Lin-Hong","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]: a one-dimensional coordination polymer connected by hydrophilic‒hydrophilic and lipophilic‒lipophilic interactions at 135K","Acta Crystallographica Section C","2010","66","4","m97","m100","10.1107/S0108270110006979","","","0.71073","MoKα","","0.0267","0.0242","","","0.0622","0.0637","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017617","11.3911","0.0002","9.4023","0.0001","14.4361","0.0002","90","","104.74","0.001","90","","1495.26","0.04","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ- croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]","","- C15 H12 Mn N2 O7 -","- C15 H12 Mn N2 O7 -","- C60 H48 Mn4 N8 O28 -","4","1","LN3137","Chen, Hong-Feng; Fang, Qi; Chen, Hong-Yu; Yu, Wen-Tao; Weng, Lin-Hong","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]: a one-dimensional coordination polymer connected by hydrophilic‒hydrophilic and lipophilic‒lipophilic interactions at 135K","Acta Crystallographica Section C","2010","66","4","m97","m100","10.1107/S0108270110006979","","","0.71073","MoKα","","0.0263","0.0239","","","0.0605","0.0621","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017618","16.5171","0.0008","10.4952","0.0005","18.2931","0.0009","90","","116.272","0.001","90","","2843.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2-(2-hydroxy-3-methoxybenzylideneamino)phenolato- κ<i>O</i>]dimethylsilicon","","- C30 H30 N2 O6 Si -","- C30 H30 N2 O6 Si -","- C120 H120 N8 O24 Si4 -","4","1","LN3141","Böhme, Uwe; Fels, Sabine","Pentacoordination <i>versus</i> tetracoordination in silicon derivatives of an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2010","66","4","o202","o205","10.1107/S0108270110009285","","","0.71073","MoKα","","0.0529","0.0361","","","0.0928","0.1001","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017619","9.0207","0.0003","12.8134","0.0005","12.9427","0.0005","90","","91.303","0.002","90","","1495.61","0.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-(3-methoxy-2-oxidobenzylideneamino)phenolato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>']dimethylsilicon","","- C16 H17 N O3 Si -","- C16 H17 N O3 Si -","- C64 H68 N4 O12 Si4 -","4","1","LN3141","Böhme, Uwe; Fels, Sabine","Pentacoordination <i>versus</i> tetracoordination in silicon derivatives of an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2010","66","4","o202","o205","10.1107/S0108270110009285","","","0.71073","MoKα","","0.0432","0.0367","","","0.1049","0.1092","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017620","10.948","0.002","13.548","0.003","15.828","0.003","108.96","0.03","94.57","0.03","110.33","0.03","2032.3","1","298","1","298","2","","","","","","","","6","P -1","-P 1","2","","μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>'-tris(μ~2~-ferrocenecarboxylato- κ^2^<i>O</i>:<i>O</i>')bis[(N,<i>N</i>- dimethylformamide-κ<i>O</i>)copper(II)]‒ bis(μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>')-bis(μ~2~-ferrocenecarboxylato- κ^2^<i>O</i>:<i>O</i>')bis[(N,<i>N</i>- dimethylformamide-κ<i>O</i>)copper(II)] (0.84/0.16)","","- C39.57 H43.05 Cu2 Fe2.84 N2 O10 -","- C39.569 H43.046 Cu2 Fe2.841 N2 O10 -","- C79.138 H86.092 Cu4 Fe5.682 N4 O20 -","2","1","LN3142","Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Wang, Jin-Gen","μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>'-tris(μ~2~-ferrocenecarboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]. Corrigendum","Acta Crystallographica Section C","2010","66","4","e11","e12","10.1107/S0108270110009443","","","0.71073","MoKα","","0.08","0.0526","","","0.1338","0.1547","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017621","5.1661","0.0001","10.3981","0.0002","18.2979","0.0003","90","","90","","90","","982.92","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Cysteinylhydroquinone","(2<i>R</i>)-<i>S</i>-(2,5-dihydroxyphenyl)cysteine","","- C9 H11 N O4 S -","- C9 H11 N O4 S -","- C36 H44 N4 O16 S4 -","4","1","MX3028","Kociok-Köhn, Gabriele; Lewis, Simon E.","Crystallographic rationalization of the reactivity and spectroscopic properties of (2<i>R</i>)-<i>S</i>-(2,5-dihydroxyphenyl)cysteine","Acta Crystallographica Section C","2010","66","4","o187","o189","10.1107/S0108270110005780","","","0.71073","MoKα","","0.0449","0.0337","","","0.072","0.0767","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017622","9.8895","0.0003","16.1689","0.0005","18.4642","0.0007","90","","90","","90","","2952.47","0.17","293","2","293","2","","","","","","","","3","P 2 21 21","P 2bc 2","18","tetradehydrohaliclonacyclamine A","(1S,16S,17S,31S)-3,20- Diazatetracyclo[15,15,0^1,17^,1^3,31^,1^16,20^]tetratriaconta-6,8,23,25- tetraene","","- C32 H52 N2 -","- C32 H52 N2 -","- C128 H208 N8 -","4","1","SK3354","Mudianta, I. Wayan; Garson, Mary J.; Bernhardt, Paul V.","The 293K structure of tetradehydrohaliclonacyclamine A","Acta Crystallographica Section C","2010","66","4","o176","o178","10.1107/S0108270110004634","","","1.5418","CuKα","","0.0938","0.0491","","","0.1305","0.1477","","","","","","0.881","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017623","28.1954","0.0015","19.6534","0.0011","15.7245","0.0009","90","","121.348","0.001","90","","7441.5","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) 3.5-hydrate","","- C36 H31 Cd Cl2 N6 O11.5 -","- C36 H31 Cd Cl2 N6 O11.5 -","- C288 H248 Cd8 Cl16 N48 O92 -","8","1","SK3355","Sun, Yu-Hui; Du, Zi-Yi; Zhang, Shi-Yong; He, Yan-Fang; Zhou, Zhong-Gao","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) 3.5-hydrate: a water chain stabilized by perchlorate anions","Acta Crystallographica Section C","2010","66","4","m104","m106","10.1107/S0108270110004567","","","0.71073","MoKα","","0.0567","0.0399","","","0.0991","0.1089","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017624","5.22187","0.00019","6.5081","0.0002","9.1165","0.0003","99.0064","0.0015","102.448","0.0015","90.2997","0.0018","298.562","0.017","295","","295","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[dibromidocopper(II)]-bis(μ-2-methyl-2<i>H</i>-tetrazol- 5-amine)-κ^2^<i>N</i>^4^:<i>N</i>^5^;κ^2^<i>N</i>^5^:<i>N</i>^4^]","","- C4 H10 Br2 Cu N10 -","- C4 H10 Br2 Cu N10 -","- C4 H10 Br2 Cu N10 -","1","0.5","SK3362","Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Mosalkova, Anastasiya P.; Gaponik, Pavel N.; Ivashkevich, Oleg A.","Copper(II) chloride and bromide complexes with 2-methyl-2<i>H</i>-tetrazol-5-amine: an X-ray powder diffraction study","Acta Crystallographica Section C","2010","66","4","m114","m117","10.1107/S0108270110009510","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.74","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017625","5.16248","0.00013","6.32103","0.00016","8.9925","0.0002","100.165","0.0013","101.454","0.0012","90.4234","0.0012","282.813","0.012","295","2","295","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[dichloridocopper(II)]-bis(μ-2-methyl-2<i>H</i>-tetrazol- 5-amine)-κ^2^<i>N</i>^4^:<i>N</i>^5^;κ^2^<i>N</i>^5^:<i>N</i>^4^]","","- C4 H10 Cl2 Cu N10 -","- C4 H10 Cl2 Cu N10 -","- C4 H10 Cl2 Cu N10 -","1","0.5","SK3362","Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Mosalkova, Anastasiya P.; Gaponik, Pavel N.; Ivashkevich, Oleg A.","Copper(II) chloride and bromide complexes with 2-methyl-2<i>H</i>-tetrazol-5-amine: an X-ray powder diffraction study","Acta Crystallographica Section C","2010","66","4","m114","m117","10.1107/S0108270110009510","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.56","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017626","7.649","0.004","10.504","0.002","10.538","0.002","117.624","0.003","104.576","0.004","94.663","0.004","706.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-(3,5-dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)-3,5-dimethyl-1<i>H</i>- pyrazol-2-ium dihydrogen phosphate","","- C11 H19 N4 O4 P -","- C11 H19 N4 O4 P -","- C22 H38 N8 O8 P2 -","2","1","SK3363","Hazra, Dipak K.; Chatterjee, Rajarshi; Ali, Mahammad; Mukherjee, Monika","4-(3,5-Dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)-3,5-dimethyl-1<i>H</i>-pyrazol-2-ium dihydrogen phosphate: a combined X-ray and DFT study","Acta Crystallographica Section C","2010","66","4","o190","o193","10.1107/S0108270110007134","","","0.71073","MoKα","","0.083","0.0516","","","0.1206","0.1357","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017627","14.0831","0.0014","10.6487","0.0012","5.7225","0.0006","90","","106.739","0.007","90","","821.82","0.15","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","bis(trimethylsilyl)acetylene benzene solvate","","- C14 H24 Si2 -","- C14 H24 Si2 -","- C28 H48 Si4 -","2","0.25","SK3366","Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Bolte, Michael","C—H···π interactions in cocrystals of bis(trimethylsilyl)acetylene and diphenylacetylene with benzene","Acta Crystallographica Section C","2010","66","4","o182","o184","10.1107/S0108270110005846","","","0.71073","MoKα","","0.0352","0.0327","","","0.0887","0.0902","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017628","5.7078","0.0006","9.0681","0.0007","14.4212","0.0016","90","","99.741","0.009","90","","735.66","0.13","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,2-diphenylacetylene benzene solvate","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","0.5","SK3366","Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Bolte, Michael","C—H···π interactions in cocrystals of bis(trimethylsilyl)acetylene and diphenylacetylene with benzene","Acta Crystallographica Section C","2010","66","4","o182","o184","10.1107/S0108270110005846","","","0.71073","MoKα","","0.0411","0.0358","","","0.0968","0.0993","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017629","10.0761","0.0012","10.5208","0.0008","11.1868","0.0019","96.546","0.007","95.79","0.009","116.035","0.009","1043.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-2-chloro- <i>N</i>-(4-methoxybenzyl)acetamide","","- C23 H26 Cl N3 O2 -","- C23 H26 Cl N3 O2 -","- C46 H52 Cl2 N6 O4 -","2","1","SK3367","López, Gerson; Jaramillo, L. Marina; Abonia, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in three substituted <i>N</i>-benzyl-<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)acetamides","Acta Crystallographica Section C","2010","66","4","o168","o173","10.1107/S0108270110006244","","","0.71073","MoKα","","0.1118","0.0549","","","0.1268","0.1538","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017630","10.12","0.002","10.7732","0.0018","19.2751","0.0014","90","","95.662","0.009","90","","2091.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-2-chloro- <i>N</i>-(4-chlorobenzyl)acetamide","","- C22 H23 Cl2 N3 O -","- C22 H23 Cl2 N3 O -","- C88 H92 Cl8 N12 O4 -","4","1","SK3367","López, Gerson; Jaramillo, L. Marina; Abonia, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in three substituted <i>N</i>-benzyl-<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)acetamides","Acta Crystallographica Section C","2010","66","4","o168","o173","10.1107/S0108270110006244","","","0.71073","MoKα","","0.085","0.0488","","","0.099","0.1159","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017631","9.6847","0.0014","11.3127","0.0009","12.3425","0.0012","77.04","0.008","72.789","0.009","84.977","0.009","1258.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>S</i>-[<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)- <i>N</i>-(4-methylbenzyl)carbamoyl]methyl <i>O</i>-ethyl carbonodithioate","","- C26 H31 N3 O2 S2 -","- C26 H31 N3 O2 S2 -","- C52 H62 N6 O4 S4 -","2","1","SK3367","López, Gerson; Jaramillo, L. Marina; Abonia, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in three substituted <i>N</i>-benzyl-<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)acetamides","Acta Crystallographica Section C","2010","66","4","o168","o173","10.1107/S0108270110006244","","","0.71073","MoKα","","0.1773","0.0561","","","0.1269","0.1723","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017632","13.7831","0.0014","7.5324","0.0009","15.2987","0.0012","90","","94.925","0.008","90","","1582.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-4-(piperidin-1-yl)-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin- 6-ium chloride monohydrate","","- C16 H21 Cl N6 O -","- C16 H21 Cl N6 O -","- C64 H84 Cl4 N24 O4 -","4","1","SK3368","Quiroga, Jairo; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","2-Amino-4-(piperidin-1-yl)-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin-6-ium chloride monohydrate and 2-amino-4-[methyl(2-methylphenyl)amino]-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin-6-ium chloride‒benzene-1,2-diamine (1/1): complex sheets generated by multiple hydrogen bonds","Acta Crystallographica Section C","2010","66","4","o154","o158","10.1107/S0108270110006967","","","0.71073","MoKα","","0.075","0.0439","","","0.095","0.1113","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017633","10.9559","0.0013","11.2372","0.0013","11.432","0.002","102.894","0.012","112.176","0.014","107.512","0.01","1149","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-[methyl(2-methylphenyl)amino]-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,5]benzodiazepin-6-ium chloride‒benzene-1,2-diamine (1/1)","","- C25 H27 Cl N8 -","- C25 H27 Cl N8 -","- C50 H54 Cl2 N16 -","2","1","SK3368","Quiroga, Jairo; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","2-Amino-4-(piperidin-1-yl)-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin-6-ium chloride monohydrate and 2-amino-4-[methyl(2-methylphenyl)amino]-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin-6-ium chloride‒benzene-1,2-diamine (1/1): complex sheets generated by multiple hydrogen bonds","Acta Crystallographica Section C","2010","66","4","o154","o158","10.1107/S0108270110006967","","","0.71073","MoKα","","0.07","0.042","","","0.0903","0.1029","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017634","12.4858","0.0002","18.8016","0.0003","9.8354","0.0002","90","","96.601","0.0013","90","","2293.58","0.07","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,7,9,13,15,19,21- octaazapentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octaeicosane monohydrate","","- C20 H42 N8 O -","- C20 H42 N8 O -","- C80 H168 N32 O4 -","4","1","SK3369","Rivera, Augusto; Ríos-Motta, Jaime; Dušek, Michal; Jarošová, Markéta","Unexpected conformational consequences of weak hydrogen bonds on 1,3,7,9,13,15,19,21-octaazapentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosane monohydrate","Acta Crystallographica Section C","2010","66","4","o222","o224","10.1107/S0108270110010413","","","1.54184","CuKα","","0.0363","0.0341","","","0.1237","0.1253","","","","","","2.73","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017635","5.6445","0.0005","25.744","0.003","8.3894","0.0011","90","","95.124","0.009","90","","1214.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>SR</i>,4<i>RS</i>)-7-chloro-2-<i>exo</i>-(2-methylprop-1-enyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0843","0.0484","","","0.1116","0.1292","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017636","5.289","0.0009","9.3076","0.0016","13.551","0.003","94.554","0.015","94.684","0.015","97.298","0.014","656.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(2<i>RS</i>,4<i>RS</i>)-8-chloro-9-methyl-2-<i>endo</i>-(2-methylprop-1-enyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H18 Cl N O -","- C15 H18 Cl N O -","- C30 H36 Cl2 N2 O2 -","2","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0697","0.0491","","","0.1042","0.1127","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017637","6.2","0.0012","10.89","0.002","12.53","0.003","90","","100.49","0.03","90","","831.9","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","SQ3232","Andrade, L. C. R.; de Almeida, M. J. M.; Neves, M. A. C.; Dinis, T. C. P.; Sá e Melo, M. L.","6β-Methyl-<i>B</i>-norandrostenedione","Acta Crystallographica Section C","2010","66","4","o185","o186","10.1107/S0108270110005871","","","0.71073","MoKα","","0.05","0.0363","","","0.0926","0.0997","","","","","","1.06","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2017638","8.4945","0.0005","8.4945","0.0005","15.9195","0.0013","90","","90","","120","","994.8","0.12","295","","295","","","","","","","","","5","P 63 2 2","P 6c 2c","182","Cobalt(sepulchrate)trinitrate","[(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane) cobalt(III) trinitrate","","- C12 H30 Co N11 O9 -","- C12 H30 Co N11.0002 O9.0006 -","- C24 H60 Co2 N22.0004 O18.0012 -","2","0.166667","SU3043","Schönleber, Andreas; van Smaalen, Sander; Larsen, Finn Krebs","Orientational disorder in Λ-cobalt(III) sepulchrate trinitrate","Acta Crystallographica Section C","2010","66","4","m107","m109","10.1107/S0108270110005755","","","0.71069","MoKα","","0.0358","0.0342","","","0.0528","0.0532","","","","","","2.25","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017639","16.197","0.001","16.197","0.001","16.197","0.001","90","","90","","90","","4249.2","0.5","295","","295","","","","","","","","","6","F 2 3","F 2 2 3","196","","aluminium barium lanthanum ruthenium strontium oxide","","- Al13.92 Ba8 La26.32 O167.04 Ru18.08 Sr53.68 -","- Al13.984 Ba8 La26.424 O167.04 Ru18.016 Sr53.576 -","- Al13.984 Ba8 La26.424 O167.04 Ru18.016 Sr53.576 -","1","0.0208333","FA3216","Zúñiga, F. J.; García-García, F. J.; Hoelzel, M.; Reller, A.","Al~14~Ba~8~La~26.3~Ru~18~Sr~53.7~O~167~: a variant of cubic perovskite with isolated RuO~6~ units","Acta Crystallographica Section C","2010","66","5","i50","i54","10.1107/S0108270110013879","","","0.71069","MoKα","","0.0529","0.0433","","","0.0867","0.0904","","","","","","1.51","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017640","16.197","0.001","16.197","0.001","16.197","0.001","90","","90","","90","","4249.2","0.5","298","","298","","","","","","","","","6","F 2 3","F 2 2 3","196","","aluminium barium lanthanum ruthenium strontium oxide","","- Al13.984 Ba8 La26.424 O167.193 Ru18.02 Sr53.64 -","- Al14.096 Ba8 La26.736 O167.04 Ru17.904 Sr53.264 -","- Al14.096 Ba8 La26.736 O167.04 Ru17.904 Sr53.264 -","1","0.0208333","FA3216","Zúñiga, F. J.; García-García, F. J.; Hoelzel, M.; Reller, A.","Al~14~Ba~8~La~26.3~Ru~18~Sr~53.7~O~167~: a variant of cubic perovskite with isolated RuO~6~ units","Acta Crystallographica Section C","2010","66","5","i50","i54","10.1107/S0108270110013879","powder diffraction","neutron","1.548","neutron","","","","","","","","","","4.65","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017641","16.932","0.003","5.0171","0.001","10.564","0.002","90","","91.27","0.03","90","","897.2","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","diammineaqua-bis[zincophosphato(V)]zinc","ammineaquadi-μ~5~-phosphato-trizinc(II)","","- H5.2 N1.2 O8.8 P2 Zn3 -","- H5.20002 N1.2 O8.8 P2 Zn3 -","- H20.8001 N4.8 O35.2 P8 Zn12 -","4","0.5","FA3219","Stojanović, Jovica; Dordević, Tamara; Karanović, Ljiljana","[Zn~3~(PO~4~)~2~(H~2~O)~0.8~(NH~3~)~1.2~]","Acta Crystallographica Section C","2010","66","5","i55","i57","10.1107/S0108270110014885","","","0.71073","MoKα","","0.0142","0.0135","","","0.0352","0.0354","","","","","","1.131","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017642","10.2311","0.0015","13.041","0.002","17.344","0.003","73.969","0.006","88.123","0.006","70.353","0.006","2090","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","[μ-4,5-Bis(diphenylphosphino)-9,9- dimethylxanthene]bis[(trifluoroacetato)gold(I)]","","- C43 H32 Au2 F6 O5 P2 -","- C43 H32 Au2 F6 O5 P2 -","- C86 H64 Au4 F12 O10 P4 -","2","1","FG3162","Tunyogi, Tünde; Deák, Andrea","[μ-4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene]bis[(trifluoroacetato)gold(I)] and its dichloromethane 0.58-solvate","Acta Crystallographica Section C","2010","66","5","m133","m136","10.1107/S0108270110013363","","","0.7107","MoKα","","0.0486","0.0413","","","0.1023","0.1077","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017643","10.548","0.003","17.028","0.004","24.724","0.007","90","","100.253","0.011","90","","4370","2","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-4,5-Bis(diphenylphosphino)-9,9- dimethylxanthene]bis[(trifluoroacetato)gold(I)] dichloromethane 0.58-solvate","","- C43.58 H33.16 Au2 Cl1.15 F6 O5 P2 -","- C43 H32 Au2 F6 O5 P2 -","- C172 H128 Au8 F24 O20 P8 -","4","1","FG3162","Tunyogi, Tünde; Deák, Andrea","[μ-4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene]bis[(trifluoroacetato)gold(I)] and its dichloromethane 0.58-solvate","Acta Crystallographica Section C","2010","66","5","m133","m136","10.1107/S0108270110013363","","","0.7107","MoKα","","0.0451","0.0365","","","0.0893","0.0924","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017644","6.2221","0.0007","25.234","0.003","8.4624","0.0009","90","","95.355","0.001","90","","1322.9","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4<i>H</i>-1-benzopyran-4-one","","- C15 H F9 O2 -","- C15 H F9 O2 -","- C60 H4 F36 O8 -","4","1","FG3163","Hori, Akiko; Naganuma, Kohei","Fully and partially fluorinated flavone derivatives","Acta Crystallographica Section C","2010","66","5","o256","o259","10.1107/S0108270110013387","","","0.71073","MoKα","","0.0464","0.0345","","","0.0826","0.094","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017645","7.54","0.0011","6.4742","0.001","23.92","0.004","90","","94.635","0.002","90","","1163.8","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6,7,8-tetrafluoro-2-phenyl-4<i>H</i>-1-benzopyran-4-one","","- C15 H6 F4 O2 -","- C15 H6 F4 O2 -","- C60 H24 F16 O8 -","4","1","FG3163","Hori, Akiko; Naganuma, Kohei","Fully and partially fluorinated flavone derivatives","Acta Crystallographica Section C","2010","66","5","o256","o259","10.1107/S0108270110013387","","","0.71073","MoKα","","0.0606","0.0403","","","0.0865","0.0943","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017646","13.8005","0.0005","10.0348","0.0003","13.4973","0.0004","90","","117.008","0.001","90","","1665.33","0.09","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","dichloridotriphenylantimony","","- C18 H15 Cl2 Sb -","- C18 H15 Cl2 Sb -","- C72 H60 Cl8 Sb4 -","4","2","FG3167","MacDonald, Daniel J.; Jennings, Michael C.; Preuss, Kathryn E.","A new polymorph of dichloridotriphenylantimony","Acta Crystallographica Section C","2010","66","5","m137","m140","10.1107/S010827011001437X","","","0.71073","MoKα","","0.0165","0.0156","","","0.0362","0.0365","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017647","26.272","0.005","8.8773","0.0018","14.453","0.003","90","","115.46","0.03","90","","3043.4","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Poly[bis(μ-4-benzoyl-1-isonicotinoylthiosemicarbazide- κ^2^<i>N</i>:<i>S</i>)dichloridocadmium(II)]","","- C28 H24 Cd Cl2 N8 O4 S2 -","- C28 H24 Cd Cl2 N8 O4 S2 -","- C112 H96 Cd4 Cl8 N32 O16 S8 -","4","0.5","FN3054","Wang, Yu-Bo; Pan, Tong-Hen; Liang, Qian; Liu, Dong-Sheng; Huang, Chang-Cang","Poly[bis(μ-4-benzoyl-1-isonicotinoylthiosemicarbazide-κ^2^<i>N</i>:<i>S</i>)dichloridocadmium(II)]","Acta Crystallographica Section C","2010","66","5","m127","m129","10.1107/S0108270110011455","","","0.71073","MoKα","","0.0397","0.0367","","","0.0667","0.0677","","","","","","1.233","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017648","12.7458","0.0008","5.807","0.0003","14.721","0.001","90","","113.519","0.007","90","","999.06","0.12","292","","292","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dithallium chromate","","- Cr O4 Tl2 -","- Cr O4 Tl2 -","- Cr8 O32 Tl16 -","8","1","FN3055","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl","A new modification of thallium chromate related to the β-K~2~SO~4~ family","Acta Crystallographica Section C","2010","66","5","i45","i49","10.1107/S0108270110010425","","","0.71073","MoKα","","0.0806","0.0331","","","0.0795","0.0857","","","","","","0.94","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017649","6.9596","0.0003","17.2201","0.0009","8.7147","0.0004","90","","103.315","0.004","90","","1016.34","0.08","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","bromodragonfly 3,5-dinitrosalicylate","1-(8-bromobenzo[1,2-<i>b</i>;5,4-<i>b</i>']difuran-4-yl)propan-2-aminium 2-carboxy-4,6-dinitrophenolate","","- C20 H16 Br N3 O9 -","- C20 H16 Br N3 O9 -","- C40 H32 Br2 N6 O18 -","2","1","GA3145","Smith, Graham; Cotton, Marcus S.; Wermuth, Urs D.; Boyd, Sue E.","Crystallographic characterization of the first reported crystalline form of the potent hallucinogen (<i>R</i>)-2-amino-1-(8-bromobenzo[1,2-<i>b</i>;5,4-<i>b</i>']difuran-4-yl)propane or `bromodragonfly': the 1:1 anhydrous proton-transfer compound with 3,5-dinitrosalicylic acid","Acta Crystallographica Section C","2010","66","5","o252","o255","10.1107/S0108270110012850","","","0.71073","MoKα","","0.0586","0.0476","","","0.1066","0.1123","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017650","10.3839","0.0005","7.9745","0.0003","20.5463","0.0008","90","","109.846","0.002","90","","1600.32","0.12","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,6-difluorophenyl)-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","2","GG3222","Fatila, Elisabeth M.; Jennings, Michael C.; Goodreid, Jordan; Preuss, Kathryn E.","A third polymorph of 4-(2,6-difluorophenyl)-1,2,3,5-dithiadiazolyl","Acta Crystallographica Section C","2010","66","5","o260","o264","10.1107/S0108270110014393","","","0.71073","MoKα","","0.0656","0.0389","","","0.0829","0.0917","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017651","3.7797","0.0017","10.362","0.003","11.297","0.003","62.92","0.02","82.3","0.03","87.6","0.04","390.3","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[4,4'-(ethane-1,2-diyl)dipyridinium bis[[aquadifluoridooxidovanadate]-μ-fluorido]]","","- C12 H16 F6 N2 O4 V2 -","- C12 H16 F6 N2 O4 V2 -","- C12 H16 F6 N2 O4 V2 -","1","0.5","GG3227","Aldous, David W.; Slawin, Alexandra M. Z.; Lightfoot, Philip","A new chain structure: <i>catena</i>-poly[4,4'-(ethane-1,2-diyl)dipyridinium bis[[aquadifluoridooxidovanadate]-μ-fluorido]]","Acta Crystallographica Section C","2010","66","5","m130","m132","10.1107/S010827011001156X","","","0.71075","MoKα","","0.0395","0.0329","","","0.0765","0.08","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017652","8.2228","0.0003","8.3506","0.0002","28.7043","0.001","90","","90","","90","","1970.99","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>^2^-{4-[(<i>E</i>)-2-(4-Chlorobenzoyl)ethenyl]-3-methyl- 1-phenyl-1<i>H</i>-pyrazol-5-yl}-<i>N</i>^1^,<i>N</i>^1^-dimethylformamidine","","- C22 H21 Cl N4 O -","- C22 H21 Cl N4 O -","- C88 H84 Cl4 N16 O4 -","4","1","GG3232","Quiroga, Jairo; Trilleras, Jorge; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-<i>N</i>^2^-{4-[(<i>E</i>)-2-(4-Chlorobenzoyl)ethenyl]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl}-<i>N</i>^1^,<i>N</i>^1^-dimethylformamidine: polarized molecules within sheets of π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2010","66","5","o245","o248","10.1107/S0108270110012023","","","0.71073","MoKα","","0.0897","0.0555","","","0.1185","0.1341","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017653","4.8358","0.0017","10.293","0.004","17.403","0.006","90","","97.524","0.01","90","","858.8","0.5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-{(5<i>S</i>)-3-[4-(5,6-dihydro-2<i>H</i>,4<i>H</i>-2- methylpyrrolo[3,4-<i>c</i>]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3- oxazolidin-5-yl}acetamide","","- C18 H20 F N5 O3 -","- C18 H20 F N5 O3 -","- C36 H40 F2 N10 O6 -","2","1","MX3027","Cheung, Eugene Y.; Peterson, Matthew L.; Chiarella, Renato; Foxman, Bruce M.","A novel oxazolidinone antibiotic: RWJ-416457","Acta Crystallographica Section C","2010","66","5","o249","o251","10.1107/S0108270110009339","","","0.71073","MoKα","","0.0852","0.0491","","0.0868","0.0744","0.0868","","","","","","0.9625","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017654","11.261","0.002","11.261","0.002","13.495","0.006","90","","90","","120","","1482","0.8","298","2","298","2","","","","","","","","5","P 32","P 32","145","","poly[diaqua(μ~2~-4,4'-bipyridine)(μ~2~-4-carboxylatocinnamato)nickel(II)]","","- C20 H18 N2 Ni O6 -","- C20 H18 N2 Ni O6 -","- C60 H54 N6 Ni3 O18 -","3","1","SQ3241","Wang, Suna; Wang, Daqi; Dou, Jianmin; Li, Dacheng","An unusual three-dimensional chiral threefold polycatenating network self-assembled from inclined two-dimensional (4,4) layer motifs","Acta Crystallographica Section C","2010","66","5","m141","m144","10.1107/S0108270110012394","","","0.71073","MoKα","","0.1076","0.0714","","","0.1806","0.2108","","","","","","1.06","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017655","6.9612","0.0014","12.043","0.002","26.481","0.005","90","","94.97","0.03","90","","2211.7","0.7","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","","dicopper(I) triselenostannate(IV)","","- Cu2 Se3 Sn -","- Cu2 Se3 Sn -","- Cu32 Se48 Sn16 -","16","4","SQ3242","Gulay, L. D.; Daszkiewicz, M.; Ostapyuk, T. A.; Klymovych, O. S.; Zmiy, O. F.","Monoclinic Cu~2~Se~3~Sn","Acta Crystallographica Section C","2010","66","5","i58","i60","10.1107/S0108270110014034","","","0.71073","MoKα","","0.0821","0.0465","","","0.0924","0.1038","","","","","","0.76","","","","has coordinates,has Fobs","199611","2020-10-21","18:00:00",""
"2017656","4.7578","0.0002","13.8845","0.0004","10.1331","0.0003","90","","103.465","0.002","90","","650.99","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","0.5","UK3019","Lee, Gene-Hsiang","Hydrogen-bonded supramolecular networks of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and 4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate","Acta Crystallographica Section C","2010","66","5","o241","o244","10.1107/S0108270110010280","","","0.71073","MoKα","","0.0937","0.0404","","","0.0857","0.1006","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017657","5.3668","0.0005","10.7271","0.001","14.8628","0.0014","90","","94.746","0.002","90","","852.72","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate","","- C14 H16 N6 O8 -","- C14 H16 N6 O8 -","- C28 H32 N12 O16 -","2","0.5","UK3019","Lee, Gene-Hsiang","Hydrogen-bonded supramolecular networks of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and 4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate","Acta Crystallographica Section C","2010","66","5","o241","o244","10.1107/S0108270110010280","","","0.71073","MoKα","","0.0864","0.0522","","","0.1223","0.1403","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017658","34.176","0.003","9.1227","0.0009","12.1235","0.0011","90","","91.962","0.008","90","","3777.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-chloroacetyl-3-ethyl-2,6-diphenylpiperidin-4-one oxime","","- C21 H23 Cl N2 O2 -","- C21 H23 Cl N2 O2 -","- C168 H184 Cl8 N16 O16 -","8","1","DN3141","Dutkiewicz, Grzegorz; Yathirajan, H. S.; Ramachandran, R.; Kabilan, S.; Kubicki, Maciej","Different hydrogen-bonding modes in two closely related oximes","Acta Crystallographica Section C","2010","66","6","o274","o278","10.1107/S0108270110015532","","","0.71073","MoKα","","0.1237","0.0499","","","0.0702","0.0787","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017659","33.849","0.003","9.025","0.001","11.98","0.001","90","","92.51","0.01","90","","3656.2","0.6","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-chloroacetyl-3-ethyl-2,6-diphenylpiperidin-4-one oxime","","- C21 H23 Cl N2 O2 -","- C21 H23 Cl N2 O2 -","- C168 H184 Cl8 N16 O16 -","8","1","DN3141","Dutkiewicz, Grzegorz; Yathirajan, H. S.; Ramachandran, R.; Kabilan, S.; Kubicki, Maciej","Different hydrogen-bonding modes in two closely related oximes","Acta Crystallographica Section C","2010","66","6","o274","o278","10.1107/S0108270110015532","","","0.71073","MoKα","","0.0357","0.0302","","","0.0765","0.0783","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017660","9.469","0.001","16.658","0.002","12.653","0.002","90","","90.29","0.01","90","","1995.8","0.4","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-chloroacetyl-2,6-diphenyl-3-(propan-2-yl)piperidin-4-one oxime","","- C22 H25 Cl N2 O2 -","- C22 H25 Cl N2 O2 -","- C88 H100 Cl4 N8 O8 -","4","1","DN3141","Dutkiewicz, Grzegorz; Yathirajan, H. S.; Ramachandran, R.; Kabilan, S.; Kubicki, Maciej","Different hydrogen-bonding modes in two closely related oximes","Acta Crystallographica Section C","2010","66","6","o274","o278","10.1107/S0108270110015532","","","1.54184","CuKα","","0.0469","0.0447","","","0.1189","0.1204","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017661","9.6263","0.0002","12.8911","0.0004","19.4499","0.0006","72.847","0.002","79.812","0.002","88.897","0.002","2268.5","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","dmh097","tetrakis(μ~2~-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)-1:2κ^3^<i>O</i>^1^,<i>O</i>^7^:<i>O</i>^7^;1:2κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^7^;2:3κ^3^<i>O</i>^1^,<i>O</i>^7^:<i>O</i>^1^;2:3κ^3^<i>O</i>^7^:<i>O</i>^1^,<i>O</i>^7^-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trienolato)-1κ^2^<i>O</i>^1^,<i>O</i>^7^;3κ^2^<i>O</i>^1^,<i>O</i>^7^-tricopper(II)‒bis(μ-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)-κ^3^<i>O</i>^1^,<i>O</i>^7^:<i>O</i>^7^;κ^3^<i>O</i>^7^:<i>O</i>^1^,<i>O</i>^7^-bis[(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)] (1/1)","","- C100 H110 Cu5 O20 -","- C100 H110 Cu5 O20 -","- C100 H110 Cu5 O20 -","1","0.5","EG3045","Ho, Douglas M.","Bis(hinokitiolato)copper(II): modification (III)","Acta Crystallographica Section C","2010","66","6","m145","m148","10.1107/S0108270110015581","","","0.71073","MoKα","","0.1121","0.0558","","","0.1231","0.149","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017662","6.0741","0.0007","13.8336","0.0016","26.076","0.003","90","","90","","90","","2191.1","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,5'<i>S</i>)-5'-benzyl-5-bromo-6-methoxyspiro[indane-2,2'- piperazine]-3',6'-dione dimethylformamide solvate","","- C23 H26 Br N3 O4 -","- C23 H26 Br N3 O4 -","- C92 H104 Br4 N12 O16 -","4","1","EG3048","Nichol, Gary S.; Murigi, Francis N.; Mash, Eugene A.","A synchrotron study of (2<i>R</i>,5'<i>S</i>)-5'-benzyl-5-bromo-6-methoxyspiro[indane-2,2'-piperazine]-3',6'-dione dimethylformamide solvate","Acta Crystallographica Section C","2010","66","6","o302","o304","10.1107/S0108270110017579","","","0.7749","synchrotron","","0.043","0.0336","","0.0733","0.0661","0.0733","","","","","","0.9978","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017663","8.2438","0.0008","5.1781","0.0004","15.8222","0.0016","90","","97.445","0.005","90","","669.71","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","trizinc(II) diarsenite","trizinc(II) bis[trioxidoarsenate(III)]","","- As2 O6 Zn3 -","- As2 O6 Zn3 -","- As8 O24 Zn12 -","4","1","FA3222","Harrison, William T. A.","β-Zn~3~(AsO~3~)~2~","Acta Crystallographica Section C","2010","66","6","i64","i66","10.1107/S0108270110017403","","","0.71073","MoKα","","0.1249","0.0635","","","0.128","0.1515","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017664","14.195","0.006","4.816","0.003","17.029","0.006","90","","102.58","0.03","90","","1136.2","1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Histidine‒Inosine-5'-phosphate complex methanol solvate hydrate","L-Histdinium inosine-5'-phosphate methanol solvate monohydrate","","- C17 H28 N7 O12 P -","- C17 H28 N7 O12 P -","- C34 H56 N14 O24 P2 -","2","1","FG3159","Ślepokura, Katarzyna; Petrus, Rafał","Nucleotide‒amino acid interactions in the <small>L</small>-His‒IMP·MeOH·H~2~O complex","Acta Crystallographica Section C","2010","66","6","o265","o269","10.1107/S0108270110014381","","","0.71073","MoKα","","0.1492","0.0515","","","0.0565","0.0698","","","","","","0.774","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017665","9.9962","0.0001","9.9962","0.0001","15.5364","0.0003","90","","90","","120","","1344.47","0.03","293","","293","","","","","","","","","4","P -3","-P 3","147","","silver thallium molybdenum selenide","","- Ag2.535 Mo12 Se15 Tl2 -","- Ag2.535 Mo12 Se15 Tl2 -","- Ag5.07 Mo24 Se30 Tl4 -","2","0.333333","FN3050","Gougeon, P.; Gall, P.; Gautier, R.; Potel, M.","Ag~2.54~Tl~2~Mo~12~Se~15~: a new structure type containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section C","2010","66","6","i67","i70","10.1107/S0108270110018536","","","0.71069","MoKα","","0.0807","0.0476","","","0.0732","0.0794","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017666","27.2046","0.0006","7.3566","0.0002","12.6687","0.0003","90","","91.621","0.002","90","","2534.41","0.11","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","benzamidinidium orotate hemihydrate","benzamidinidium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate hemihydrate","","- C12 H13 N4 O4.5 -","- C12 H13 N4 O4.5 -","- C96 H104 N32 O36 -","8","1","FN3053","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives","Acta Crystallographica Section C","2010","66","6","o295","o301","10.1107/S0108270110016252","","","0.7107","MoKα","","0.0907","0.0649","","","0.1421","0.1518","","","","","","1.202","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017667","11.3562","0.0002","6.0402","0.0001","22.3763","0.0004","90","","96.221","0.002","90","","1525.84","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzamidinium isoorotate trihydrate","benzamidinium 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate trihydrate","","- C12 H18 N4 O7 -","- C12 H18 N4 O7 -","- C48 H72 N16 O28 -","4","1","FN3053","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives","Acta Crystallographica Section C","2010","66","6","o295","o301","10.1107/S0108270110016252","","","0.7107","MoKα","","0.1346","0.0865","","","0.1671","0.1856","","","","","","1.238","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017668","10.7607","0.0003","5.0998","0.0002","27.2412","0.0005","90","","98.2485","0.0011","90","","1479.46","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzamidinium diliturate dihydrate","benzamidinium 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate dihydrate","","- C11 H15 N5 O7 -","- C11 H15 N5 O7 -","- C44 H60 N20 O28 -","4","1","FN3053","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives","Acta Crystallographica Section C","2010","66","6","o295","o301","10.1107/S0108270110016252","","","0.7107","MoKα","","0.0748","0.0642","","","0.1598","0.1654","","","","","","1.172","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017669","4.3625","0.0004","10.4461","0.0011","13.8556","0.0012","78.551","0.007","86.841","0.008","84.051","0.007","615.13","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","benzamidinidium 5-nitrouracilate","benzamidinidium 5-nitro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide","","- C11 H11 N5 O4 -","- C11 H11 N5 O4 -","- C22 H22 N10 O8 -","2","1","FN3053","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives","Acta Crystallographica Section C","2010","66","6","o295","o301","10.1107/S0108270110016252","","","0.7107","MoKα","","0.0895","0.0508","","","0.1075","0.1187","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017670","7.009","0.0002","10.504","0.0003","25.562","0.0009","90","","90","","90","","1881.94","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(3,4-Dimethoxybenzyl)-7-isopropyl-1,3,5-triazepane-2,6-dione acetonitrile solvate","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","1","GD3337","Ejsmont, Krzysztof; Boeglin, Joel; Didierjean, Claude; Guichard, Gilles; Jelsch, Christian","5-(3,4-Dimethoxybenzyl)-7-isopropyl-1,3,5-triazepane-2,6-dione acetonitrile solvate refined using a multipolar atom model","Acta Crystallographica Section C","2010","66","6","o292","o294","10.1107/S0108270110016331","","","0.71073","MoKα","","0.048","0.0359","","","0.0253","0.0266","","","","","","1.651","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017671","7.468","0.0015","8.439","0.0017","9.819","0.002","105.11","0.03","111.98","0.03","97.04","0.03","537","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis[dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato- κ^2^<i>O</i>,<i>O</i>']magnesium(II)","","- C10 H22 Mg N4 O16 P4 -","- C10 H22 Mg N4 O16 P4 -","- C10 H22 Mg N4 O16 P4 -","1","0.5","GD3341","Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo","Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C~5~H~9~N~2~O~7~P~2~)~2~(H~2~O)~2~] and [Ca(C~5~H~8~N~2~O~7~P~2~)(H~2~O)]~<i>n~</i>","Acta Crystallographica Section C","2010","66","6","m166","m170","10.1107/S0108270110017634","","","0.71073","MoKα","","0.057","0.0523","","","0.1459","0.1514","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017672","13.7027","0.0015","7.0429","0.0008","11.004","0.0012","90","","94.007","0.01","90","","1059.4","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aquacalcium(II)]-μ~3~-[hydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato]- κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']","","- C5 H10 Ca N2 O8 P2 -","- C5 H10 Ca N2 O8 P2 -","- C20 H40 Ca4 N8 O32 P8 -","4","1","GD3341","Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo","Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C~5~H~9~N~2~O~7~P~2~)~2~(H~2~O)~2~] and [Ca(C~5~H~8~N~2~O~7~P~2~)(H~2~O)]~<i>n~</i>","Acta Crystallographica Section C","2010","66","6","m166","m170","10.1107/S0108270110017634","","","0.71073","MoKα","","0.0486","0.034","","","0.0826","0.0852","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017673","9.0996","0.001","11.2154","0.0012","23.974","0.003","90","","90","","90","","2446.7","0.5","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","1","GD3345","Howard, Ruth H.; Theobald, Nicola; Bochmann, Manfred; Wright, Joseph A.","1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline","Acta Crystallographica Section C","2010","66","6","o310","o312","10.1107/S0108270110018433","","","0.71073","MoKα","","0.1121","0.0557","","","0.0871","0.1012","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017674","12.9726","0.0009","4.7485","0.0003","14.1782","0.001","90","","116.309","0.003","90","","782.91","0.09","100","0.1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Bis(2,2,2-trifluoroethoxymethyl)-2,2'-bipyridine","","- C16 H14 F6 N2 O2 -","- C16 H14 F6 N2 O2 -","- C32 H28 F12 N4 O4 -","2","0.5","GG3229","Lu, Norman; Tu, Wen-Han; Wu, Zong-Wei; Wen, Yuh-Sheng; Liu, Ling-Kang","4,4'-Bis(2,2,2-trifluoroethoxymethyl)-2,2'-bipyridine","Acta Crystallographica Section C","2010","66","6","o289","o291","10.1107/S0108270110014356","","","0.71073","MoKα","","0.0396","0.0314","","","0.0768","0.0819","","","","","","1.035","","","","has coordinates,has Fobs","209040","2020-10-21","18:00:00",""
"2017675","8.3396","0.0003","21.7131","0.0007","9.201","0.0003","90","","106.683","0.002","90","","1595.97","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Acetyl-2-chloro-8,11-dimethyl-5,6,11,12- tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocine","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","GG3233","Yepes, Andrés F.; Jaimes, Ederson; Bahsas, Ali; Palma, Alirio; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","Ring conformations and intermolecular interactions in two fused dibenzoazocines","Acta Crystallographica Section C","2010","66","6","o284","o288","10.1107/S0108270110014708","","","0.71073","MoKα","","0.0801","0.0552","","","0.1294","0.1428","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017676","18.9549","0.001","9.8917","0.0004","9.4354","0.0005","90","","97.348","0.003","90","","1754.57","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","14-acetyl-8,11-dimethyl-7,8,13,14- tetrahydrobenzo[<i>f</i>]naphtho[1,2-<i>b</i>]azocine‒14-acetyl- 8,9-dimethyl-7,8,13,14-tetrahydrobenzo[<i>f</i>]naphtho[1,2-<i>b</i>]azocine (74/26)","","- C23 H23 N O -","- C23.023 H23.023 N1.001 O1.001 -","- C92.092 H92.092 N4.004 O4.004 -","4","1","GG3233","Yepes, Andrés F.; Jaimes, Ederson; Bahsas, Ali; Palma, Alirio; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","Ring conformations and intermolecular interactions in two fused dibenzoazocines","Acta Crystallographica Section C","2010","66","6","o284","o288","10.1107/S0108270110014708","","","0.71073","MoKα","","0.0882","0.0541","","","0.1247","0.1417","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017677","15.436","0.005","13.622","0.007","9.359","0.005","90","","105","0.04","90","","1900.9","1.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-dione","","- C27 H17 N3 O2 -","- C27 H17 N3 O2 -","- C108 H68 N12 O8 -","4","1","GZ3177","Díaz, Yurina; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Two similarly substituted benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-diones: supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2010","66","6","o305","o309","10.1107/S0108270110018500","","","0.71073","MoKα","","0.0762","0.0485","","","0.0956","0.1063","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017678","8.9952","0.0015","9.6201","0.0015","12.537","0.004","98.72","0.02","103.31","0.02","95.48","0.02","1033.9","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","8-methyl-7-(4-methylphenyl)-10-phenyl-5<i>H</i>- benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-dione","","- C28 H19 N3 O2 -","- C28 H19 N3 O2 -","- C56 H38 N6 O4 -","2","1","GZ3177","Díaz, Yurina; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Two similarly substituted benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-diones: supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2010","66","6","o305","o309","10.1107/S0108270110018500","","","0.71073","MoKα","","0.0833","0.0522","","","0.1021","0.1146","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017679","13.2312","0.0003","10.4394","0.0002","11.7282","0.0002","90","","95.518","0.002","90","","1612.46","0.06","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5-diphenyl-3-(2-pyridyl)-2-pyrazoline","","- C20 H17 N3 -","- C20 H17 N3 -","- C80 H68 N12 -","4","1","LG3030","Barceló-Oliver, Miquel; Terrón, Angel; García-Raso, Angel; Lah, Nina; Turel, Iztok","Intermolecular C—H···π interactions in 1,5-diphenyl-3-(2-pyridyl)-2-pyrazoline","Acta Crystallographica Section C","2010","66","6","o313","o316","10.1107/S010827011001841X","","","0.71073","MoKα","","0.0762","0.0465","","","","0.1334","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017680","9.9638","0.0018","22.644","0.004","14.723","0.003","90","","97.998","0.007","90","","3289.5","1.1","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Tetrapotassium [μ~2~-<i>N</i>-carboxylato-D-penicillaminato(3-)- 5:6κ^2^<i>S</i>:<i>S</i>][μ~2~-D-penicillaminato(1-)- 2,3κ^2^<i>S</i>:<i>S</i>]tetrakis[μ~2~-D-penicillaminato(2-)]- 1:2κ^3^<i>N</i>,<i>S</i>:<i>S</i>; 1:6κ^3^<i>N</i>,<i>S</i>:<i>S</i>; 3:4κ^3^<i>S</i>:<i>N</i>,<i>S</i>; 4:5κ^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate","","- C33 H79 Au4 K4 N6 Ni2 O25 S6 -","- C33 H79 Au4 K4 N6 Ni2 O25 S6 -","- C66 H158 Au8 K8 N12 Ni4 O50 S12 -","2","1","LG3031","Hashimoto, Yuji; Taguchi, Mai; Yoshinari, Nobuto; Konno, Takumi","Tetrapotassium [μ~2~-<i>N</i>-carboxylato-<small>D</small>-penicillaminato(3‒)-5:6κ^2^<i>S</i>:<i>S</i>][μ~2~-<small>D</small>-penicillaminato(1‒)-2:3κ^2^<i>S</i>:<i>S</i>]tetrakis[μ~2~-<small>D</small>-penicillaminato(2‒)]-1:2κ^3^<i>N</i>,<i>S</i>:<i>S</i>;1:6κ^3^<i>N</i>,<i>S</i>:<i>S</i>;3:4κ^3^<i>S</i>:<i>N</i>,<i>S</i>;4:5κ^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate","Acta Crystallographica Section C","2010","66","6","m160","m162","10.1107/S0108270110016550","","","0.71075","MoKα","","0.036","0.0298","","","0.0589","0.0641","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017681","11.8719","0.0008","6.1493","0.0002","20.8247","0.0014","90","","121.18","0.005","90","","1300.67","0.15","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycinium semi-oxalate","Glycinium semi-oxalate","","- C4 H7 N O6 -","- C4 H7 N O6 -","- C32 H56 N8 O48 -","8","2","LN3139","Tumanov, Nikolay A.; Boldyreva, Elena V.; Shikina, Natalia E.","Two new structures in the glycine‒oxalic acid system","Acta Crystallographica Section C","2010","66","6","o279","o283","10.1107/S0108270110015519","","","0.71073","MoKα","","0.0543","0.0465","","","0.1146","0.1194","","","1.065","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017682","5.0068","0.0007","11.3293","0.0015","12.893","0.002","90","","106.077","0.012","90","","702.73","0.18","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diglycinium oxalate methanol disolvate","","- C8 H20 N2 O10 -","- C8 H20 N2 O10 -","- C16 H40 N4 O20 -","2","0.5","LN3139","Tumanov, Nikolay A.; Boldyreva, Elena V.; Shikina, Natalia E.","Two new structures in the glycine‒oxalic acid system","Acta Crystallographica Section C","2010","66","6","o279","o283","10.1107/S0108270110015519","","","0.71073","MoKα","","0.0569","0.0419","","","0.1029","0.1107","","","1.06","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017683","7.4025","0.0015","8.9349","0.0018","11.16","0.002","68.66","0.03","74.28","0.03","71.14","0.03","640.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tripotassium benzene-1,3,5-tris(trifluoroborate)","","- C6 H3 B3 F9 K3 -","- C6 H3 B3 F9 K3 -","- C12 H6 B6 F18 K6 -","2","1","LN3143","Franz, Daniel; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","The twinned crystal structure of tripotassium benzene-1,3,5-tris(trifluoroborate)","Acta Crystallographica Section C","2010","66","6","m152","m156","10.1107/S0108270110015787","","","0.71073","MoKα","","0.0776","0.0641","","","0.1736","0.1796","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017684","11.03798","0.00015","11.03798","0.00015","15.266","0.0002","90","","90","","120","","1610.78","0.04","130","2","130","2","","","","","","","","4","P 31","P 31","144","DABCO monohydrate","1,4-Diazabicyclo[2.2.2]octane monohydrate","","- C6 H14 N2 O -","- C6 H14 N2 O -","- C54 H126 N18 O9 -","9","3","SF3127","Wicher, Barbara; Gdaniec, Maria","Polymorphs of DABCO monohydrate as structural analogues of NaCl","Acta Crystallographica Section C","2010","66","6","o270","o273","10.1107/S0108270110015428","","","1.54178","CuKα","","0.0421","0.0417","","","0.1156","0.1161","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017685","5.1127","0.0005","17.8516","0.0016","17.8746","0.0001","90","","90","","90","","1631.4","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Safinamide","(2<i>S</i>)-2-[4-(3-fluorobenzyloxy)benzylamino]propionamide","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","SF3130","Ravikumar, Krishnan; Sridhar, Balasubramanian","Two polymorphs of safinamide, a selective and reversible inhibitor of monoamine oxidase B","Acta Crystallographica Section C","2010","66","6","o317","o320","10.1107/S0108270110019384","","","0.71073","MoKα","","0.0731","0.0423","","","0.0943","0.1134","","","","","","0.968","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017686","6.6297","0.0009","8.1015","0.0012","29.268","0.004","90","","90","","90","","1572","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Safinamide","2(S)-[4-(3-Fluorobenzyloxy) benzylamino] propionamide","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","SF3130","Ravikumar, Krishnan; Sridhar, Balasubramanian","Two polymorphs of safinamide, a selective and reversible inhibitor of monoamine oxidase B","Acta Crystallographica Section C","2010","66","6","o317","o320","10.1107/S0108270110019384","","","0.71073","MoKα","","0.0448","0.0431","","","0.1199","0.1213","","","","","","1.218","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017687","8.2299","0.0005","10.2956","0.0006","10.9902","0.0005","63.662","0.005","89.775","0.004","77.221","0.005","809.14","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","Tricaesium tris(oxalato-κ^2^O^1^,O^2^)chromate(III) dihydrate","","- C6 H4 Cr Cs3 O14 -","- C6 H4 Cr Cs3 O14 -","- C12 H8 Cr2 Cs6 O28 -","2","1","SQ3237","Martin, Lee; Christian, Anthony; Akutsu, Hiroki","Tricaesium tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)chromate(III) dihydrate","Acta Crystallographica Section C","2010","66","6","m157","m159","10.1107/S0108270110014861","","","0.71073","MoKα","","0.0275","0.0247","","0.0589","0.058","0.0589","","","","","","0.9844","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017688","13.875","0.003","13.142","0.003","22.166","0.004","90","","90","","90","","4041.9","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[{μ~4~-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]","","- C40 H34 N12 O9 Zn2 -","- C40 H34 N12 O9 Zn2 -","- C160 H136 N48 O36 Zn8 -","4","0.5","SQ3238","Duan, Li; Wu, Xiang-Wen; Ma, Jian-Ping; Dong, Yu-Bin","Poly[[{μ~4~-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]: a novel two-dimensional framework formed by self-association of zinc(II) sulfate with 3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section C","2010","66","6","m149","m151","10.1107/S0108270110014988","","","0.71073","MoKα","","0.0641","0.0435","","","0.1068","0.1184","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2017689","7.313","0.003","11.056","0.005","14.572","0.007","74.376","0.006","79.57","0.007","87.592","0.007","1115.9","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","dichlorido{2,5-bis[3-(1<i>H</i>-1,3-imidazol-1-ylmethyl)phenyl]-1,3,4-\ oxadiazole}cobalt(II)","","- C22 H18 Cl2 Co N6 O -","- C22 H18 Cl2 Co N6 O -","- C44 H36 Cl4 Co2 N12 O2 -","2","1","SQ3243","Wu, Yan; Hou, Gui-Ge; Ma, Jian-Ping; Dong, Yu-Bin","A novel 18-membered metallocycle in {2,5-bis[3-(1<i>H</i>-1,3-imidazol-1-ylmethyl)phenyl]-1,3,4-oxadiazole}dichloridocobalt(II)","Acta Crystallographica Section C","2010","66","6","m163","m165","10.1107/S0108270110016689","","","0.71073","MoKα","","0.0882","0.0619","","","0.1328","0.1459","","","","","","1.004","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017690","18.7819","0.0013","6.2881","0.0004","10.5581","0.0004","90","","116.443","0.004","90","","1116.48","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[[diaquaoxido[μ~3~-trioxidoseleato(2-)]vanadium(IV)] hemihydrate]","","- H5 O6.5 Se V -","- H5 O6.5 Se V -","- H40 O52 Se8 V8 -","8","1","SQ3246","Harrison, William T. A.","[VO(SeO~3~)(H~2~O)~2~]·0.5H~2~O","Acta Crystallographica Section C","2010","66","6","i61","i63","10.1107/S0108270110016707","","","0.71073","MoKα","","0.0293","0.0236","","","0.0518","0.0541","","","","","","1.028","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017691","7.235","0.002","10.823","0.004","9.545","0.003","90","","98.78","0.02","90","","738.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethyl 3-[1-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorin-2-yl)propan-2-ylidene]carbazate","","- C11 H21 N2 O5 P -","- C11 H21 N2 O5 P -","- C22 H42 N4 O10 P2 -","2","1","DN3143","Arfaoui, Youssef; Kouass, Salah; Salah, Nesrine; Ben Akacha, Azaiez; Guesmi, Abderrahmen","Ethyl 3-[1-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorin-2-yl)propan-2-ylidene]carbazate: a combined X-ray and density functional theory (DFT) study","Acta Crystallographica Section C","2010","66","7","o353","o355","10.1107/S0108270110020688","","","0.71073","MoKα","","0.0306","0.028","","","0.0785","0.0802","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017692","7.6715","0.0005","16.0963","0.001","12.0406","0.0008","90","","91.666","0.005","90","","1486.18","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{1-[(4-chloroanilino)methylidene]ethyl}pyridinium chloride methanol solvate","","- C14 H17 Cl2 N3 O -","- C14 H17 Cl2 N3 O -","- C56 H68 Cl8 N12 O4 -","4","1","DN3144","Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides","Acta Crystallographica Section C","2010","66","7","o364","o368","10.1107/S0108270110019827","","","0.71073","MoKα","","0.0419","0.0347","","","0.093","0.0961","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017693","6.8522","0.0012","11.5134","0.0016","15.856","0.002","90","","90.048","0.016","90","","1250.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{1-[(4-fluoroanilino)methylidene]ethyl}pyridinium chloride","","- C13 H13 Cl F N3 -","- C13 H13 Cl F N3 -","- C52 H52 Cl4 F4 N12 -","4","1","DN3144","Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides","Acta Crystallographica Section C","2010","66","7","o364","o368","10.1107/S0108270110019827","","","0.71073","MoKα","","0.08","0.0617","","","0.1506","0.1631","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017694","7.0088","0.0008","11.7258","0.0014","21.843","0.002","96.321","0.009","92.066","0.009","107.247","0.009","1699.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-{1-[(4-Fluoroanilino)methylidene]ethyl}pyridinium chloride methanol disolvate","","- C15 H21 Cl F N3 O2 -","- C15 H21 Cl F N3 O2 -","- C60 H84 Cl4 F4 N12 O8 -","4","2","DN3144","Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides","Acta Crystallographica Section C","2010","66","7","o364","o368","10.1107/S0108270110019827","","","0.71073","MoKα","","0.0572","0.0298","","","0.056","0.0584","","","","","","0.851","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017695","12.614","0.0013","15.1085","0.0014","12.6704","0.0017","90","","107.259","0.01","90","","2306","0.5","122","1","122","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(salen)chromium(V)-(μ-nitrido)-chloro(COD)rhodium(I)","chlorido-2κ<i>Cl</i>-[2(η^4^)-1,5-cyclooctadiene]{2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}-μ-nitrido- 1:2κ^2^<i>N</i>:<i>N</i>-chromium(V)rhodium(I)","","- C24 H26 Cl Cr N3 O2 Rh -","- C24 H26 Cl Cr N3 O2 Rh -","- C96 H104 Cl4 Cr4 N12 O8 Rh4 -","4","1","EG3042","Vibenholt, Johan; Magnussen, Magnus; Anthon, Christian; Bendix, Jesper","Synthesis and molecular structure of Cr(salen)(μ-N)RhCl(COD): the first example of a heterobimetallic nitride-bridged complex containing chromium","Acta Crystallographica Section C","2010","66","7","m177","m179","10.1107/S0108270110018238","","","0.71073","MoKα","","0.0458","0.0294","","","0.0607","0.0667","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017696","9.1393","0.0014","5.2461","0.0008","19.204","0.003","90","","91.807","0.011","90","","920.3","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","POPOP","5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole","","- C24 H16 N2 O2 -","- C24 H16 N2 O2 -","- C48 H32 N4 O4 -","2","0.5","EG3047","Schindler, Diana; Felsmann, Marika; Weber, Edwin","Influence of 1,4-dioxane solvent inclusion on the crystal structure of 5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole (POPOP)","Acta Crystallographica Section C","2010","66","7","o361","o363","10.1107/S0108270110022092","","","0.71073","MoKα","","0.0523","0.0367","","","0.0873","0.0935","","","","","","1.028","","","","has coordinates,has Fobs","192310","2020-10-21","18:00:00",""
"2017697","12.2424","0.0006","5.9115","0.0003","18.5046","0.0009","90","","97.977","0.003","90","","1326.24","0.11","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","POPOP . 2dioxane","5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole dioxane disolvate","","- C32 H32 N2 O6 -","- C32 H32 N2 O6 -","- C64 H64 N4 O12 -","2","0.5","EG3047","Schindler, Diana; Felsmann, Marika; Weber, Edwin","Influence of 1,4-dioxane solvent inclusion on the crystal structure of 5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole (POPOP)","Acta Crystallographica Section C","2010","66","7","o361","o363","10.1107/S0108270110022092","","","0.71073","MoKα","","0.0447","0.0302","","","0.069","0.075","","","","","","1.014","","","","has coordinates,has Fobs","192311","2020-10-21","18:00:00",""
"2017698","7.0743","0.0002","23.4468","0.0005","8.1134","0.0001","90","","107.063","0.001","90","","1286.53","0.05","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","acetoguanaminium hydrogen phthalate","2,4-diamino-6-methyl-1,3,5-triazinium hydrogen phthalate","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","FA3215","Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate","Acta Crystallographica Section C","2010","66","7","o324","o328","10.1107/S0108270110014150","","","0.71073","MoKα","","0.0484","0.0439","","","0.1233","0.1268","","","","","","1.124","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017699","7.1921","0.0003","8.2359","0.0003","9.4775","0.0004","98.287","0.002","104.656","0.002","91.032","0.003","536.58","0.04","293","","293","","","","","","","","","4","P -1","-P 1","2","acetoguanaminium hydrogen maleate","2,4-diamino-6-methyl-1,3,5-triazin-1-ium hydrogen maleate","","- C8 H11 N5 O4 -","- C8 H11 N5 O4 -","- C16 H22 N10 O8 -","2","1","FA3215","Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate","Acta Crystallographica Section C","2010","66","7","o324","o328","10.1107/S0108270110014150","","","0.71073","MoKα","","0.075","0.0496","","","0.1384","0.1682","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017700","7.0397","0.0016","24.68","0.005","7.5047","0.0019","90","","94.462","0.007","90","","1299.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","acetoguanaminium 3-hydroxypicolinate monohydrate","2,4-diamino-6-methyl-1,3,5-triazinium 3-hydroxypicolinate monohydrate","","- C10 H14 N6 O4 -","- C10 H14 N6 O4 -","- C40 H56 N24 O16 -","4","1","FA3215","Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate","Acta Crystallographica Section C","2010","66","7","o324","o328","10.1107/S0108270110014150","","","0.71073","MoKα","","0.084","0.0512","","","0.1354","0.1539","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017701","6.443","0.001","6.883","0.001","9.301","0.001","90","","98.8","0.2","90","","407.6","0.2","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","Ammonium Tungstate Tellurite","Diammonium [oxtaoxidoditellurato(IV)]tungstate","","- H8 N2 O8 Te2 W -","- N2 O8 Te2 W -","- N4 O16 Te4 W2 -","2","1","FA3227","Grzechnik, A.; Halasyamani, P. S.; Kim, J.-H.; Friese, K.","(NH~4~)~2~WTe~2~O~8~ at 5.09GPa: a single-crystal study using synchrotron radiation","Acta Crystallographica Section C","2010","66","7","i79","i81","10.1107/S0108270110022869","","","0.3978","synchrotron","","0.1117","0.1117","","","0.0948","0.0948","","","","","","2.27","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017702","6.171","0.0003","7.4134","0.0003","18.2438","0.0006","91.754","0.003","91.308","0.003","108.135","0.004","792.33","0.06","200","2","200","2","","","","","","","","4","P 1","P 1","1","4-(phenyldiazenyl)anilinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate","4-(phenyldiazenyl)anilinium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C32 H34 N6 O12 -","2","2","FG3168","Smith, Graham; Wermuth, Urs D.; Young, David J.","Phenyl-ring rotational disorder in the two-dimensional hydrogen-bonded structure of the 1:1 proton-transfer salt of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2010","66","7","o345","o348","10.1107/S0108270110020597","","","0.71073","MoKα","","0.0597","0.0495","","","0.1136","0.1178","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017703","6.8689","0.0004","20.3896","0.0012","18.333","0.0011","90","","99.242","0.002","90","","2534.3","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[[diaquabis[μ~2~-3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane- κ^2^<i>N</i>^1^:<i>N</i>^1^']cadmium(II)] dithiocyanate dihydrate],","","- C50 H72 Cd N14 O4 S2 -","- C50 H72 Cd N14 O4 S2 -","- C100 H144 Cd2 N28 O8 S4 -","2","0.5","FG3170","Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cadmium(II) thio- and selenocyanate complexes of 3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane, a ligand designed with an `extended nanodiamond' aliphatic platform","Acta Crystallographica Section C","2010","66","7","m180","m183","10.1107/S0108270110021050","","","0.71073","MoKα","","0.0638","0.0417","","","0.0913","0.0977","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017704","6.9147","0.0005","20.4704","0.0014","18.419","0.0015","90","","100.168","0.002","90","","2566.2","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[[diaquabis[μ~2~-3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane- κ^2^<i>N</i>^1^:<i>N</i>^1^']cadmium(II)] diselenocyanate dihydrate],","","- C50 H72 Cd N14 O4 Se2 -","- C50 H72 Cd N14 O4 Se2 -","- C100 H144 Cd2 N28 O8 Se4 -","2","0.5","FG3170","Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cadmium(II) thio- and selenocyanate complexes of 3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane, a ligand designed with an `extended nanodiamond' aliphatic platform","Acta Crystallographica Section C","2010","66","7","m180","m183","10.1107/S0108270110021050","","","0.71073","MoKα","","0.0944","0.0532","","","0.1186","0.1283","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017705","17.4052","0.0007","16.4768","0.0007","16.7408","0.0007","90","","90","","90","","4801","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Magic Blue","tris(4-bromophenyl)aminium hexachloridoantimonate","","- C18 H12 Br3 Cl6 N Sb -","- C18 H12 Br3 Cl6 N Sb -","- C144 H96 Br24 Cl48 N8 Sb8 -","8","1","FN3059","Quiroz-Guzman, Mauricio; Brown, Seth N.","Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization","Acta Crystallographica Section C","2010","66","7","m171","m173","10.1107/S0108270110019748","","","0.71073","MoKα","","0.072","0.0346","","","0.0632","0.0746","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017706","9.397","0.0006","16.0352","0.0015","11.3688","0.0007","90","","107.534","0.004","90","","1633.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tris(4-bromophenyl)amine","4-bromo-N,N-bis(4-bromophenyl)aniline","","- C18 H12 Br3 N -","- C18 H12 Br3 N -","- C72 H48 Br12 N4 -","4","1","FN3059","Quiroz-Guzman, Mauricio; Brown, Seth N.","Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization","Acta Crystallographica Section C","2010","66","7","m171","m173","10.1107/S0108270110019748","","","0.71073","MoKα","","0.0464","0.0304","","","0.0592","0.0637","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017707","11.6501","0.0003","16.4813","0.0004","7.5754","0.0002","90","","94.269","0.002","90","","1450.51","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methylanilinium picrate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","GD3342","Meng, Gao-Xiang; Yang, He-Lin; Cheng, Cui-Xia; Huang, Xin-Tang","Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate","Acta Crystallographica Section C","2010","66","7","o337","o340","10.1107/S0108270110020846","","","0.71073","Mokα","","0.084","0.0666","","","0.1644","0.172","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017708","4.3288","0.0018","23.372","0.01","15.292","0.006","90","","94.606","0.007","90","","1542.1","1.1","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2,5-dichloroanilinium picrate","","- C12 H8 Cl2 N4 O7 -","- C12 H8 Cl2 N4 O7 -","- C48 H32 Cl8 N16 O28 -","4","1","GD3342","Meng, Gao-Xiang; Yang, He-Lin; Cheng, Cui-Xia; Huang, Xin-Tang","Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate","Acta Crystallographica Section C","2010","66","7","o337","o340","10.1107/S0108270110020846","","","0.71073","Mokα","","0.0467","0.0413","","","0.092","0.0935","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017709","7.3206","0.0007","11.2201","0.0007","19.4813","0.0012","90","","98.576","0.007","90","","1582.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triethylaminium hydrogen 4,5-dichlorophthalate","triethylaminium 2-carboxy-4,5-dichlorobenzoate","","- C14 H19 Cl2 N O4 -","- C14 H19 Cl2 N O4 -","- C56 H76 Cl8 N4 O16 -","4","1","GD3347","Smith, Graham; Wermuth, Urs D.","Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine","Acta Crystallographica Section C","2010","66","7","o374","o380","10.1107/S0108270110022328","","","0.71073","MoKα","","0.0376","0.0293","","","0.0749","0.0771","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017710","8.9588","0.0013","9.9042","0.0011","17.062","0.003","90","","104.58","0.014","90","","1465.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diethylaminium hydrogen 4,5-dichlorophthalate","diethylaminium 2-carboxy-4,5-dichlorobenzoate","","- C12 H15 Cl2 N O4 -","- C12 H15 Cl2 N O4 -","- C48 H60 Cl8 N4 O16 -","4","1","GD3347","Smith, Graham; Wermuth, Urs D.","Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine","Acta Crystallographica Section C","2010","66","7","o374","o380","10.1107/S0108270110022328","","","0.71073","MoKα","","0.0507","0.0373","","","0.1027","0.1062","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017711","8.1362","0.0006","9.3043","0.0011","15.406","0.001","78.678","0.007","85.846","0.006","67.777","0.009","1058.62","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","n-butylaminium 4,5-dichlorophthalate monohydrate","bis(butanaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate","","- C16 H28 Cl2 N2 O5 -","- C16 H28 Cl2 N2 O5 -","- C32 H56 Cl4 N4 O10 -","2","1","GD3347","Smith, Graham; Wermuth, Urs D.","Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine","Acta Crystallographica Section C","2010","66","7","o374","o380","10.1107/S0108270110022328","","","0.71073","MoKα","","0.0575","0.0455","","","0.1385","0.1445","","","","","","1.179","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017712","13.8481","0.001","10.5937","0.0008","14.6129","0.001","90","","99.903","0.007","90","","2111.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","piperidinium 4,5-dichlorophthalate monohydrate","bis(piperidinium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate","","- C18 H28 Cl2 N2 O5 -","- C18 H28 Cl2 N2 O5 -","- C72 H112 Cl8 N8 O20 -","4","1","GD3347","Smith, Graham; Wermuth, Urs D.","Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine","Acta Crystallographica Section C","2010","66","7","o374","o380","10.1107/S0108270110022328","","","0.71073","MoKα","","0.0591","0.0375","","","0.0954","0.1032","","","","","","0.957","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017713","28.8774","0.0007","16.8275","0.0007","23.3186","0.0008","90","","120.068","0.002","90","","9806.5","0.6","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","25-Allyloxy-5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxycalix[4]arene chloroform disolvate","","- C49 H62 Cl6 O4 -","- C49 H62 Cl6 O4 -","- C392 H496 Cl48 O32 -","8","1","GD3348","Gruber, Tobias; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin","25-Allyloxy-5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxycalix[4]arene chloroform disolvate","Acta Crystallographica Section C","2010","66","7","o334","o336","10.1107/S0108270110020858","","","0.71073","MoKα","","0.0657","0.0546","","","0.1612","0.168","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017714","5.94606","0.00019","15.8898","0.0005","21.3765","0.0006","90","","90","","90","","2019.69","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ezetimibe anhydrate","(3<i>R</i>,4<i>S</i>)-1-(4-fluorophenyl)-3-[(3<i>S</i>)-3-(4-fluorophenyl)- 3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C96 H84 F8 N4 O12 -","4","1","GT3018","Brüning, Jürgen; Alig, Edith; Schmidt, Martin U.","Ezetimibe anhydrate, determined from laboratory powder diffraction data","Acta Crystallographica Section C","2010","66","7","o341","o344","10.1107/S0108270110019190","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.161","","","","","","","has coordinates,has Fobs","203904","2020-10-21","18:00:00",""
"2017715","4.7855","0.0004","18.2887","0.0015","31.247","0.003","90","","90","","90","","2734.8","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Isoleucyl-L-asparagine","","- C10 H21.188 N3 O5.094 -","- C10 H21.188 N3 O5.094 -","- C80 H169.504 N24 O40.752 -","8","2","JZ3182","Görbitz, Carl Henrik; Backe, Paul Hoff","<small>L</small>-Isoleucyl-<small>L</small>-asparagine 1.094-hydrate: a hybrid hydrogen-bonding pattern","Acta Crystallographica Section C","2010","66","7","o349","o352","10.1107/S0108270110020895","","","0.71073","MoKα","","0.0725","0.0432","","","0.0928","0.1043","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017716","14.999","0.0008","5.4114","0.0003","10.8287","0.0006","90","","99.477","0.005","90","","866.92","0.08","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","Methyl-β-D-fructopyranoside","Methyl β-D-fructopyranoside","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","JZ3186","Allscher, Thorsten; Klüfers, Peter","Methyl β-<small>D</small>-fructopyranoside","Acta Crystallographica Section C","2010","66","7","o321","o323","10.1107/S0108270110019888","","","0.71073","MoKα","","0.0355","0.0337","","","0.0903","0.0915","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017717","12.5887","0.0006","8.5127","0.0004","20.3151","0.001","90","","103.853","0.001","90","","2113.72","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","caesium niobium selenide","Hexacaesium tetraniobium docosaselenide","","- Cs6 Nb4 Se22 -","- Cs6 Nb4 Se22 -","- Cs12 Nb8 Se44 -","2","0.5","KU3024","Krizan, Jason W.; Pulido, Sergio H.; Wehrhan, Sarah E.; Chan, Benny C.","Cs~6~Nb~4~Se~22~ and K~12~Nb~6~Se~35.3~: two new compounds containing the <i>M</i>~4~<i>Q</i>~22~ building block","Acta Crystallographica Section C","2010","66","7","i75","i78","10.1107/S0108270110017038","","","0.71073","MoKα","","0.0618","0.0377","","","0.0794","0.0891","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017718","8.329","0.0004","13.2559","0.0007","55.974","0.003","90","","90","","90","","6180","0.6","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","dodecapotassium hexaniobium pentatriacontaselenide","","- K12 Nb6 Se35.3 -","- K12 Nb6 Se35.3 -","- K48 Nb24 Se141.2 -","4","0.5","KU3024","Krizan, Jason W.; Pulido, Sergio H.; Wehrhan, Sarah E.; Chan, Benny C.","Cs~6~Nb~4~Se~22~ and K~12~Nb~6~Se~35.3~: two new compounds containing the <i>M</i>~4~<i>Q</i>~22~ building block","Acta Crystallographica Section C","2010","66","7","i75","i78","10.1107/S0108270110017038","","","0.71073","MoKα","","0.0392","0.0314","","","0.0607","0.063","","","","","","1.115","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017719","10.3927","0.0004","10.3927","0.0004","10.3927","0.0004","90","","90","","90","","1122.5","0.07","298","2","298","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","dipotassium tri-μ-arsenato-scandium(III)tin(IV)","","- As3 K2 O12 Sc Sn -","- As3 K2 O12 Sc Sn -","- As12 K8 O48 Sc4 Sn4 -","4","0.333333","KU3025","Harrison, William T. A.","K~2~ScSn(AsO~4~)~3~: an arsenate-containing langbeinite","Acta Crystallographica Section C","2010","66","7","i82","i84","10.1107/S0108270110021670","","","0.71073","MoKα","","0.0308","0.0272","","","0.0618","0.0629","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017720","7.5759","0.0002","8.4629","0.0002","13.1534","0.0002","103.082","0.002","94.473","0.002","104.401","0.002","787.52","0.03","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","4-(5,5'-dibromo-2'-chloro-4,4'-bipyridyl-2-yl)benzaldehyde","","- C17 H9 Br2 Cl N2 O -","- C17 H9 Br2 Cl N2 O -","- C34 H18 Br4 Cl2 N4 O2 -","2","1","KU3026","Abboud, Mohamed; Kadimi, Amal; Mamane, Victor; Aubert, Emmanuel","Conformational disorder in 4-(5,5'-dibromo-2'-chloro-4,4'-bipyridyl-2-yl)benzaldehyde: role of π‒π and halogen interactions","Acta Crystallographica Section C","2010","66","7","o381","o384","10.1107/S0108270110024261","","","0.71069","MoKα","","0.0322","0.0277","","","0.071","0.0731","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017721","11.5729","0.0004","11.2385","0.0004","16.0232","0.0006","90","","94.329","0.001","90","","2078.06","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudine hemihydrate","<i>cis</i>-4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)pyrimidin- 2(1<i>H</i>)-one hemihydrate","","- C8 H12 N3 O3.5 S -","- C8 H12 N3 O3.5 S -","- C64 H96 N24 O28 S8 -","8","4","LN3144","Bhattacharya, Abir; Roy, Bhairab Nath; Singh, Girij Pal; Srivastava, Dhananjai; Mukherjee, Alok K.","Lamivudine hemihydrate","Acta Crystallographica Section C","2010","66","7","o329","o333","10.1107/S0108270110020317","","","0.71073","MoKα","","0.0302","0.0282","","","0.0697","0.0709","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017722","7.1361","0.0005","7.407","0.0006","9.9686","0.0006","87.064","0.006","79.17","0.006","62.077","0.008","456.86","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Diamminesilver(I) bis(2-amino-5-nitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1^')silver(I)","","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","1","0.5","SF3131","Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Diamminesilver(I) bis(2-amino-5-nitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)silver(I): a two-dimensional supramolecular sheet with a short intersheet distance containing a rare four-coordinate planar silver(I) centre","Acta Crystallographica Section C","2010","66","7","m174","m176","10.1107/S0108270110020585","","","0.71073","MoKα","","0.0211","0.0167","","","0.0473","0.0482","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017723","9.3621","0.0009","11.0618","0.001","11.5907","0.0011","90","","104.259","0.001","90","","1163.37","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido(η^5^-cyclopentadienyl)bis(dimethylamido)titanium","","- C9 H17 Cl N2 Ti -","- C9 H17 Cl N2 Ti -","- C36 H68 Cl4 N8 Ti4 -","4","1","SF3132","Chapin, Brette M.; Hughs, Lauren D.; Golen, James A.; Rheingold, Arnold L.; Johnson, Adam R.","Chlorido(η^5^-cyclopentadienyl)bis(dimethylamido)titanium, [TiCl(η^5^-C~5~H~5~)(NMe~2~)~2~]","Acta Crystallographica Section C","2010","66","7","m191","m193","10.1107/S0108270110023176","","","0.71073","MoKα","","0.0279","0.0246","","","0.0612","0.0635","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017724","7.8148","0.0005","20.9889","0.0014","13.2464","0.0009","90","","91.21","0.002","90","","2172.2","0.2","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-nitro-N,N'-diethylbenzene-1,3-diamine","<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C80 H120 N24 O16 -","8","2","SK3377","Payne, Thomas J.; Thurman, Chad R.; Yu, Hao; Sun, Qian; Mohanty, Dillip K.; Squattrito, Philip J.; Giolando, Mark-Robin; Brue, Christopher R.; Kirschbaum, Kristin","<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone","Acta Crystallographica Section C","2010","66","7","o369","o373","10.1107/S0108270110023188","","","0.71073","MoKα","","0.0686","0.0479","","","0.1273","0.139","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017725","10.988","0.008","4.865","0.004","21.22","0.018","90","","91.62","0.04","90","","1133.9","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-bis(ethylamino)-3-nitrobenzonitrile","2,6-bis(ethylamino)-3-nitrobenzonitrile","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","SK3377","Payne, Thomas J.; Thurman, Chad R.; Yu, Hao; Sun, Qian; Mohanty, Dillip K.; Squattrito, Philip J.; Giolando, Mark-Robin; Brue, Christopher R.; Kirschbaum, Kristin","<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone","Acta Crystallographica Section C","2010","66","7","o369","o373","10.1107/S0108270110023188","","","0.71073","MoKα","","0.0522","0.0452","","","0.1213","0.1313","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017726","15.514","0.005","8.573","0.004","15.012","0.005","90","","115.647","0.012","90","","1799.9","1.2","210","1","210","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","di(4-ethylamino-3-nitrobenzene)sulfone","bis(4-ethylamino-3-nitrophenyl) sulfone","","- C16 H18 N4 O6 S -","- C16 H18 N4 O6 S -","- C64 H72 N16 O24 S4 -","4","1","SK3377","Payne, Thomas J.; Thurman, Chad R.; Yu, Hao; Sun, Qian; Mohanty, Dillip K.; Squattrito, Philip J.; Giolando, Mark-Robin; Brue, Christopher R.; Kirschbaum, Kristin","<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone","Acta Crystallographica Section C","2010","66","7","o369","o373","10.1107/S0108270110023188","","","0.71073","MoKα","","0.0417","0.0339","","","0.0903","0.0951","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017727","16.437","0.0002","10.0498","0.0001","9.9473","0.0001","90","","91.485","0.001","90","","1642.63","0.03","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tricaesium triindium tetraphosphate","","- Cs3 In3 O16 P4 -","- Cs3 In3 O16 P4 -","- Cs12 In12 O64 P16 -","4","0.5","SQ3240","Zatovsky, Igor V.; Baumer, Vyacheslav N.; Strutynska, Nataliya Yu.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.","A novel In~3~O~16~ fragment in Cs~3~In~3~(PO~4~)~4~","Acta Crystallographica Section C","2010","66","7","i71","i74","10.1107/S0108270110017695","","","0.71073","MoKα","","0.0402","0.0302","","","","0.0703","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017728","9.0113","0.0018","9.6052","0.0019","9.6248","0.0019","79.95","0.03","72.14","0.03","71.4","0.03","748.8","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Poly[diaquabis(μ~3~-2,2-dimethylmalonato)calcium(II)copper(II)]","Poly[diaquabis(μ~3~-2,2-dimethylpropanedioato)calcium(II)copper(II)]","","- C10 H16 Ca Cu O10 -","- C10 H16 Ca Cu O10 -","- C20 H32 Ca2 Cu2 O20 -","2","1","SQ3244","Guo, Ming-Lin; Wang, Feng-Qin","Poly[diaquabis(μ~3~-2,2-dimethylpropanedioato)calcium(II)copper(II)]","Acta Crystallographica Section C","2010","66","7","m184","m187","10.1107/S0108270110020433","","","0.71073","MoKα","","0.0716","0.0532","","","0.1399","0.152","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017729","9.134","0.003","9.862","0.003","27.81","0.008","90","","90","","90","","2505.1","1.3","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","18-Crown-6 propane-1,3-diaminium tetrachlorozincate(II) clathrate","propane-1,3-diaminium tetrachloridozincate(II)‒ 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C15 H36 Cl4 N2 O6 Zn -","- C15 H36 Cl4 N2 O6 Zn -","- C60 H144 Cl16 N8 O24 Zn4 -","4","1","SQ3249","Zhao, Min Min; Qu, Zhi Rong","Propane-1,3-diaminium tetrachloridozincate(II) 18-crown-6 clathrate","Acta Crystallographica Section C","2010","66","7","m188","m190","10.1107/S0108270110022201","","","0.71073","MoKα","","0.0328","0.029","","","0.0785","0.0952","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017730","13.3937","0.0004","7.0389","0.0002","9.971","0.0002","90","","107.555","0.002","90","","896.26","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~6~-<i>rac</i>-<i>cis</i>-cyclohexane-1,2-dicarboxylato)strontium]","","- C8 H10 O4 Sr -","- C8 H10 O4 Sr -","- C32 H40 O16 Sr4 -","4","1","SU3046","Robertson, Karen A.; Harrison, William T. A.","Poly[(μ~6~-<i>rac</i>-<i>cis</i>-cyclohexane-1,2-dicarboxylato)strontium]","Acta Crystallographica Section C","2010","66","7","m194","m196","10.1107/S0108270110021165","","","0.71073","MoKα","","0.0641","0.0566","","","0.1529","0.1617","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017731","3.6671","0.001","7.585","0.002","9.582","0.002","88.14","0.02","85.67","0.02","77.41","0.02","259.34","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","pyrazine‒2,3,5,6-tetrafluorobenzene-1,4-diol (1/1)","","- C10 H6 F4 N2 O2 -","- C10 H6 F4 N2 O2 -","- C10 H6 F4 N2 O2 -","1","0.5","SU3047","Czapik, Agnieszka; Gdaniec, Maria","Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds","Acta Crystallographica Section C","2010","66","7","o356","o360","10.1107/S0108270110021736","","","0.71073","MoKα","","0.0562","0.0482","","","0.1242","0.1321","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017732","7.2094","0.0005","7.429","0.0004","23.585","0.013","90","","90","","90","","1263.2","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","quinoxaline‒2,3,5,6-tetrafluorobenzene-1,4-diol (1/1)","","- C14 H8 F4 N2 O2 -","- C14 H8 F4 N2 O2 -","- C56 H32 F16 N8 O8 -","4","1","SU3047","Czapik, Agnieszka; Gdaniec, Maria","Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds","Acta Crystallographica Section C","2010","66","7","o356","o360","10.1107/S0108270110021736","","","0.71073","MoKα","","0.0332","0.0306","","","0.0817","0.0837","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017733","9.1482","0.0005","11.0393","0.0006","12.4185","0.0008","90","","102.585","0.005","90","","1224.01","0.13","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","phenazine‒2,3,5,6-tetrafluorobenzene-1,4-diol (2/1)","","- C30 H18 F4 N4 O2 -","- C30 H18 F4 N4 O2 -","- C60 H36 F8 N8 O4 -","2","0.5","SU3047","Czapik, Agnieszka; Gdaniec, Maria","Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds","Acta Crystallographica Section C","2010","66","7","o356","o360","10.1107/S0108270110021736","","","0.71073","MoKα","","0.0536","0.0413","","","0.1173","0.1251","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017734","10.5528","0.0002","10.9391","0.0002","13.1938","0.0002","102.367","0.001","98.134","0.001","105.059","0.001","1404.91","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","[μ~3~-<i>cis</i>-<i>N</i>-(2-Aminoethyl)-<i>N</i>'-(2- carboxylatophenyl)oxamidato(3-)]bis(2,2'-diamino-4,4'- bithiazole)tetracopper(II) bis(2,4,6-trinitrophenolate)","","- C46 H36 Cu4 N20 O22 S4 -","- C46 H36 Cu4 N20 O22 S4 -","- C46 H36 Cu4 N20 O22 S4 -","1","0.5","BG3125","Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Jiang, Fu-Bin","[μ~3~-<i>cis</i>-<i>N</i>-(2-Aminoethyl)-<i>N</i>'-(2-carboxylatophenyl)oxamidato(3{-})]bis(2,2'-diamino-4,4'-bi-1,3-thiazole)tetracopper(II) bis(2,4,6-trinitrophenolate)","Acta Crystallographica Section C","2010","66","8","m218","m221","10.1107/S0108270110026491","","","0.71073","MoKα","","0.0581","0.0394","","","0.0946","0.1033","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017735","4.7936","0.0008","23.483","0.004","17.628","0.003","90","","91.824","0.002","90","","1983.3","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,15-bis[(4-butyl-2,3,5,6-tetrafluorophenyl)ethynyl]-10,20-dipropylporphyrin","","- C50 H42 F8 N4 -","- C50 H42 F8 N4 -","- C100 H84 F16 N8 -","2","0.5","BM3094","Marushima, Yuta; Uchiumi, Yuri; Ogu, Kenichi; Hori, Akiko","Intermolecular π-stacking and F···F interactions of fluorine-substituted <i>meso</i>-alkynylporphyrin","Acta Crystallographica Section C","2010","66","8","o406","o409","10.1107/S0108270110026405","","","0.71073","MoKα","","0.0808","0.0449","","","0.0942","0.1075","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017736","33.613","0.003","5.2845","0.0005","23.152","0.002","90","","111.252","0.001","90","","3832.8","0.6","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,15-bis[(4-butylphenyl)ethynyl]-10,20-dipropylporphyrin","","- C50 H50 N4 -","- C50 H50 N4 -","- C200 H200 N16 -","4","0.5","BM3094","Marushima, Yuta; Uchiumi, Yuri; Ogu, Kenichi; Hori, Akiko","Intermolecular π-stacking and F···F interactions of fluorine-substituted <i>meso</i>-alkynylporphyrin","Acta Crystallographica Section C","2010","66","8","o406","o409","10.1107/S0108270110026405","","","0.71073","MoKα","","0.0678","0.0437","","","0.0991","0.1097","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017737","30.803","0.008","9.796","0.003","19.157","0.005","90","","107.174","0.004","90","","5523","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","","- C26 H45 B N6 Zn -","- C26 H45 B N6 Zn -","- C208 H360 B8 N48 Zn8 -","8","2","BM3097","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","Acta Crystallographica Section C","2010","66","8","m197","m200","10.1107/S0108270110024674","","","0.71073","MoKα","","0.0647","0.0486","","","0.0988","0.1053","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017738","30.83","0.004","9.8047","0.0012","19.17","0.002","90","","107.211","0.0018","90","","5535.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","","- C26 H45 B N6 Zn -","- C26 H45 B N6 Zn -","- C208 H360 B8 N48 Zn8 -","8","2","BM3097","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","Acta Crystallographica Section C","2010","66","8","m197","m200","10.1107/S0108270110024674","","","0.71073","MoKα","","0.0739","0.0609","","","0.139","0.1467","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017739","30.83","0.004","9.8047","0.0012","19.17","0.002","90","","107.211","0.0018","90","","5535.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","","- C26 H45 B N6 Zn -","- C26 H45 B N6 Zn -","- C208 H360 B8 N48 Zn8 -","8","2","BM3097","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","Acta Crystallographica Section C","2010","66","8","m197","m200","10.1107/S0108270110024674","","","0.71073","MoKα","","0.085","0.0738","","","0.1817","0.1857","","","","","","1.252","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017740","7.94437","0.00007","11.71472","0.00017","16.82348","0.00012","90","","90","","90","","1565.7","0.03","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-2-[(2-Hydroxypropanoyl)oxy]propanoic acid","","- C6 H10 O5 -","- C6 H10 O5 -","- C48 H80 O40 -","8","2","BM3098","Lutz, Martin; van Krieken, Jan","(<i>S</i>,<i>S</i>)-Lactoyllactic acid and (<i>S</i>,<i>S</i>,<i>S</i>)-lactoyllactoyllactic acid","Acta Crystallographica Section C","2010","66","8","o401","o405","10.1107/S0108270110026193","","","0.71073","MoKα","","0.0283","0.0264","","","0.0747","0.0763","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017741","17.3594","0.0005","5.62712","0.00017","13.9888","0.0006","90","","123.861","0.001","90","","1134.71","0.07","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","(<i>S</i>,<i>S</i>,<i>S</i>)-3-Hydroxybut-3-en-2-yl 2-[(2-hydroxypropanoyl)oxy]propanoate","","- C9 H14 O7 -","- C9 H14 O7 -","- C36 H56 O28 -","4","1","BM3098","Lutz, Martin; van Krieken, Jan","(<i>S</i>,<i>S</i>)-Lactoyllactic acid and (<i>S</i>,<i>S</i>,<i>S</i>)-lactoyllactoyllactic acid","Acta Crystallographica Section C","2010","66","8","o401","o405","10.1107/S0108270110026193","","","0.71073","MoKα","","0.0304","0.0278","","","0.067","0.0685","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017742","4.7106","0.0004","22.8634","0.0019","7.2804","0.0006","90","","98.154","0.003","90","","776.17","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(β-aminoethyl)glycine dihydrate","2-[(2-ammonioethyl)amino]acetate dihydrate","","- C4 H14 N2 O4 -","- C4 H14 N2 O4 -","- C16 H56 N8 O16 -","4","1","DN3147","Wiklund, Tove; McKenzie, Christine J.; Lennartson, Anders","Graphene-like nets of hydrogen-bonded water molecules in the dihydrate of 2-[(2-ammonioethyl)amino]acetate and the structure of its anhydrous hydroiodide salt","Acta Crystallographica Section C","2010","66","8","o410","o413","10.1107/S0108270110026314","","","0.71073","MoKα","","0.0386","0.0293","","","0.083","0.0884","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017743","5.7129","0.0003","12.4269","0.0007","11.656","0.0007","90","","98.542","0.002","90","","818.32","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(β-aminoethyl)glycine hydroiodide","2-[(2-ammonioethyl)ammonio]acetate iodide","","- C4 H11 I N2 O2 -","- C4 H11 I N2 O2 -","- C16 H44 I4 N8 O8 -","4","1","DN3147","Wiklund, Tove; McKenzie, Christine J.; Lennartson, Anders","Graphene-like nets of hydrogen-bonded water molecules in the dihydrate of 2-[(2-ammonioethyl)amino]acetate and the structure of its anhydrous hydroiodide salt","Acta Crystallographica Section C","2010","66","8","o410","o413","10.1107/S0108270110026314","","","0.71073","MoKα","","0.0156","0.0138","","","0.0313","0.0318","","","","","","0.898","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017744","24.254","0.002","6.7855","0.0006","20.2586","0.0016","90","","116.549","0.004","90","","2982.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[[(μ~3~-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate]","","- C12 H18 O8 U -","- C12 H18 O8 U -","- C96 H144 O64 U8 -","8","1","EG3050","Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","A new adamantanecarboxylate coordination polymer: poly[[(μ~3~-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate]","Acta Crystallographica Section C","2010","66","8","m207","m210","10.1107/S0108270110026065","","","0.71073","MoKα","","0.0495","0.0336","","","0.0678","0.0735","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017745","5.0872","0.0002","11.5569","0.0005","14.2784","0.0005","77.433","0.002","86.726","0.002","89.418","0.002","818.01","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","nicotinamide‒succinic acid (2/1)","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C32 H36 N8 O12 -","2","1","FG3180","Thompson, Laura J.; Voguri, Raja S.; Cowell, Adam; Male, Louise; Tremayne, Maryjane","The cocrystal nicotinamide‒succinic acid (2/1)","Acta Crystallographica Section C","2010","66","8","o421","o424","10.1107/S0108270110027319","","","0.71073","MoKα","","0.0803","0.0555","","","0.1162","0.132","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017746","6.3372","0.0004","22.4153","0.0014","6.8618","0.0004","90","","111.112","0.002","90","","909.3","0.1","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-1,3-thiazolium hydrogen maleate","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C28 H32 N8 O16 S4 -","4","1","GA3150","John, Jain; Balasubramanian, T.","<i>Z</i> and <i>E</i> isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate","Acta Crystallographica Section C","2010","66","8","o436","o440","10.1107/S0108270110023206","","","0.71073","MoKα","","0.0537","0.0412","","","","0.1169","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017747","20.7129","0.0005","7.1803","0.0002","37.4469","0.0009","90","","90","","90","","5569.3","0.2","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-1,3-thiazolium hydrogen fumarate","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C168 H192 N48 O96 S24 -","24","3","GA3150","John, Jain; Balasubramanian, T.","<i>Z</i> and <i>E</i> isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate","Acta Crystallographica Section C","2010","66","8","o436","o440","10.1107/S0108270110023206","","","0.71073","MoKα","","0.0679","0.0518","","","","0.1491","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017748","25.209","0.002","17.6946","0.0015","15.5541","0.0013","90","","90","","90","","6938.1","1","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di- μ~3~-oxido-dimanganese(III)disodium","","- C64 H112 Mn2 N4 Na2 O4 Si4 -","- C64 H112 Mn2 N4 Na2 O4 Si4 -","- C256 H448 Mn8 N16 Na8 O16 Si16 -","4","0.5","GA3151","Blake, Alexander J.; Harris, Naomi A.; Kays, Deborah L.; Lewis, William; Moxey, Graeme J.","Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di-μ~3~-oxido-dimanganese(III)disodium","Acta Crystallographica Section C","2010","66","8","m204","m206","10.1107/S010827011002442X","","","0.71073","MoKα","","0.0781","0.0672","","","0.149","0.155","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017749","16.139","0.005","10.145","0.005","17.453","0.005","90","","92.046","0.005","90","","2855.8","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Benzoyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8- tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonane","phenyl(<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-tetraphenyl- 3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone","","- C38 H33 N O S -","- C38 H33 N O S -","- C152 H132 N4 O4 S4 -","4","1","GD3335","Sakthivel, Chinniah; Jeyaraman, Ramasubbu","Forced twin-chair conformation in 7-benzoyl- and 7-phenylacetyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonanes with 1,3-diaxial phenyl groups in the piperidine ring: single- and double-layered supramolecular sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","8","o396","o400","10.1107/S0108270110023115","","","0.71073","MoKα","","0.0566","0.0382","","","0.0941","0.1031","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017750","16.8724","0.0007","9.4863","0.0003","19.2376","0.0008","90","","93.245","0.001","90","","3074.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Phenylacetyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8\ -tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonane","2-phenyl-1-(<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-\ tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonan-7-yl)ethanone","","- C39 H35 N O S -","- C39 H35 N O S -","- C156 H140 N4 O4 S4 -","4","1","GD3335","Sakthivel, Chinniah; Jeyaraman, Ramasubbu","Forced twin-chair conformation in 7-benzoyl- and 7-phenylacetyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonanes with 1,3-diaxial phenyl groups in the piperidine ring: single- and double-layered supramolecular sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","8","o396","o400","10.1107/S0108270110023115","","","0.71073","MoKα","","0.0642","0.0435","","","0.1119","0.1312","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017751","7.8078","0.0007","11.2328","0.001","23.639","0.002","90","","90","","90","","2073.2","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(1<i>R</i>,3<i>R</i>,4<i>S</i>)-1-Benzyl-3-(<i>tert</i>-butyldimethylsilyloxy)-4-(hydroxymethyl)pyrrolidine‒borane","","- C18 H34 B N O2 Si -","- C18 H34 B N O2 Si -","- C72 H136 B4 N4 O8 Si4 -","4","1","GD3351","Gainsford, Graeme J.; Luxenburger, Andreas; Woolhouse, Anthony D.","(1<i>R</i>,3<i>R</i>,4<i>S</i>)-1-Benzyl-3-(<i>tert</i>-butyldimethylsilyloxy)-4-(hydroxymethyl)pyrrolidine‒borane: novel B—H···H—O hydrogen bonding","Acta Crystallographica Section C","2010","66","8","o418","o420","10.1107/S0108270110026879","","","0.71073","MoKα","","0.0565","0.0491","","","0.1262","0.1336","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017752","7.7897","0.0002","12.2577","0.0002","17.2316","0.0005","70.1447","0.001","89.341","0.001","75.3827","0.0016","1492.45","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","[μ-5,15-bis(pyridin-1-ium-4-yl)-10,20-di-4- pyridylporphyrin]bis[aquatetranitratodysprosium(III)] benzene solvate","","- C40 H32 Dy2 N16 O26 -","- C40 H32 Dy2 N16 O26 -","- C40 H32 Dy2 N16 O26 -","1","0.5","GD3355","Lipstman, Sophia; Goldberg, Israel","Coordination and hydrogen-bonding assemblies in hybrid reaction products between 5,10,15,20-tetra-4-pyridylporphyrin and dysprosium trinitrate hexahydrate","Acta Crystallographica Section C","2010","66","8","m222","m226","10.1107/S0108270110026892","","","0.71073","MoKα","","0.0606","0.0415","","","0.079","0.0833","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017753","12.8961","0.0002","12.9222","0.0002","18.5978","0.0003","71.6843","0.0007","80.9684","0.0008","73.3707","0.0007","2811.52","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","5,10,15,20-tetrakis(pyridin-1-ium-4-yl)porphyrin pentaaquadinitratodysprosate(III) pentanitrate diethanol solvate dihydrate","","- C44 H56 Dy N15 O30 -","- C44 H56 Dy N15 O30 -","- C88 H112 Dy2 N30 O60 -","2","1","GD3355","Lipstman, Sophia; Goldberg, Israel","Coordination and hydrogen-bonding assemblies in hybrid reaction products between 5,10,15,20-tetra-4-pyridylporphyrin and dysprosium trinitrate hexahydrate","Acta Crystallographica Section C","2010","66","8","m222","m226","10.1107/S0108270110026892","","","0.71073","MoKα","","0.0404","0.0335","","","0.0784","0.0817","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017754","10.5167","0.0014","5.9729","0.0013","18.2602","0.001","90","","105.7","0.007","90","","1104.2","0.3","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitrophenol‒4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide (2/1)","","- C22 H18 N4 O8 -","- C22 H18 N4 O8 -","- C44 H36 N8 O16 -","2","0.5","GG3235","Moreno-Fuquen, Rodolfo; Theodoro, Jahyr; Ellena, Javier; Montaño-A., Angela Marcela; Atencio, Reynaldo","3-Nitrophenol‒4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide (2/1): a DFT study and CSD analysis of DPNO molecular complexes","Acta Crystallographica Section C","2010","66","8","o425","o428","10.1107/S0108270110024601","","","0.71073","MoKα","","0.087","0.048","","","0.109","0.13","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017755","11.322","0.0015","12.9538","0.0016","17.659","0.002","71.165","0.012","84.364","0.011","71.257","0.012","2321.2","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","bi-TTF(pyridine-bi-ester)-TCNQ","bis{2-[(6,7-tetramethylene-3-methylsulfanyltetrathiafulvalen-2- yl)sulfanyl]ethyl} pyridine-2,6-dicarboxylate‒tetracyanoquinodimethane‒ dichloromethane (2/1/2)","","- C80 H74 Cl4 N6 O8 S24 -","- C80 H74 Cl4 N6 O8 S24 -","- C80 H74 Cl4 N6 O8 S24 -","1","0.5","GT3021","Kaboub, Lakhemici; Fabre, Jean-Marc; Vendier, Laure; Legros, Jean-Pierre","Donor‒acceptor complex of a new bis-TTF donor containing a pyridine diester spacer with TCNQ as the acceptor: a disappointing system","Acta Crystallographica Section C","2010","66","8","o429","o432","10.1107/S0108270110028155","","","0.71073","MoKα","","0.0677","0.0521","","","0.1414","0.1512","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017756","26.9702","0.0012","11.4912","0.0007","24.9646","0.0018","90","","90","","90","","7737","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate","Bis(adamantan-1-aminium) tetrachloridozincate(II)‒1,4,7,10,13,16-hexaoxacyclooctadecane‒water (1/1/1)","","- C32 H62 Cl4 N2 O7 Zn -","- C32 H62 Cl4 N2 O7 Zn -","- C256 H496 Cl32 N16 O56 Zn8 -","8","1","GZ3178","Zhao, Min Min; Qu, Zhi Rong","Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate","Acta Crystallographica Section C","2010","66","8","m215","m217","10.1107/S0108270110025795","","","0.71073","MoKα","","0.0771","0.0578","","","0.1257","0.1342","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017757","18.211","0.0005","23.6861","0.0004","5.8206","0.0001","90","","90","","90","","2510.7","0.09","100","","100","","","","","","","","","5","A m a 2","A 2 -2a","40","","Poly[dimethyldiphenylphosphonium [di-μ~4~-iodido-tetra-μ~3~-iodido-pentacopper(I)]]","","- C14 H16 Cu5 I6 P -","- C14 H16 Cu5 I6 P -","- C56 H64 Cu20 I24 P4 -","4","0.5","MX3031","Jalilian, Ehsan; Lidin, Sven","Poly[dimethyldiphenylphosphonium [di-μ~4~-iodido-tetra-μ~3~-iodido-pentacopper(I)]]","Acta Crystallographica Section C","2010","66","8","m227","m230","10.1107/S0108270110027149","","","0.71069","MoKα","","0.0688","0.0405","","","0.0622","0.0654","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017758","7.5314","0.0005","18.271","0.0012","8.4249","0.0006","90","","104.374","0.001","90","","1123.03","0.13","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cytosinium nicotinate hydrate","4-amino-2-oxo-2,3-dihydropyrimidin-1-ium nicotinate monohydrate","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C40 H48 N16 O16 -","4","1","SF3134","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonded networks in cytosinium nicotinate monohydrate and cytosinium isonicotinate cytosine dihydrate","Acta Crystallographica Section C","2010","66","8","o414","o417","10.1107/S0108270110026430","","","0.71073","MoKα","","0.0401","0.0374","","","0.1031","0.1069","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017759","7.1852","0.0008","7.3627","0.0008","17.7387","0.0018","99.831","0.002","92.928","0.002","107.862","0.002","874.7","0.16","294","2","294","2","","","","","","","","4","P -1","-P 1","2","cytosinium isonicotinate cytosine dihydrate","4-amino-2-oxo-2,3-dihydropyrimidin-1-ium isonicotinate‒4-aminopyrimidin-2(1<i>H</i>)-one‒water (1/1/2)","","- C14 H19 N7 O6 -","- C14 H19 N7 O6 -","- C28 H38 N14 O12 -","2","1","SF3134","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonded networks in cytosinium nicotinate monohydrate and cytosinium isonicotinate cytosine dihydrate","Acta Crystallographica Section C","2010","66","8","o414","o417","10.1107/S0108270110026430","","","0.71073","MoKα","","0.0466","0.0409","","","0.1181","0.13","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017760","13.907","0.002","5.0357","0.0008","14.233","0.002","90","","108.946","0.004","90","","942.8","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[(3-Fluorophenyl)amino]methylidene}-3-oxobutanenitrile","","- C11 H9 F N2 O -","- C11 H9 F N2 O -","- C44 H36 F4 N8 O4 -","4","1","SK3374","Langer, Vratislav; Mach, Pavol; Smrčok, Ľubomír; Milata, Viktor; Plevová, Kristína","2-{[(3-Fluorophenyl)amino]methylidene}-3-oxobutanenitrile and 5-{[(3-fluorophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione: X-ray and DFT studies","Acta Crystallographica Section C","2010","66","8","o392","o395","10.1107/S0108270110023334","","","0.71073","MoKα","","0.0871","0.0474","","","0.1115","0.1281","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017761","6.3","0.0012","9.4753","0.0018","10.765","0.002","88.947","0.005","79.81","0.004","71.931","0.004","600.8","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","5-{[(3-fluorophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C13 H12 F N O4 -","- C13 H12 F N O4 -","- C26 H24 F2 N2 O8 -","2","1","SK3374","Langer, Vratislav; Mach, Pavol; Smrčok, Ľubomír; Milata, Viktor; Plevová, Kristína","2-{[(3-Fluorophenyl)amino]methylidene}-3-oxobutanenitrile and 5-{[(3-fluorophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione: X-ray and DFT studies","Acta Crystallographica Section C","2010","66","8","o392","o395","10.1107/S0108270110023334","","","0.71073","MoKα","","0.1066","0.0498","","","0.1169","0.1473","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017762","7.9278","0.0008","15.2929","0.0018","22.41","0.004","90","","90.326","0.012","90","","2716.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","SK3375","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Pseudomerohedral twinning, pseudosymmetry and complex hydrogen-bonded sheets in 2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol","Acta Crystallographica Section C","2010","66","8","o385","o388","10.1107/S0108270110023152","","","0.71073","MoKα","","0.0778","0.0538","","","0.1405","0.1591","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017763","7.9278","0.0008","15.2929","0.0018","22.41","0.004","90","","90.326","0.012","90","","2716.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","SK3375","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Pseudomerohedral twinning, pseudosymmetry and complex hydrogen-bonded sheets in 2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol","Acta Crystallographica Section C","2010","66","8","o385","o388","10.1107/S0108270110023152","","","0.71073","MoKα","","0.0777","0.0528","","","0.1391","0.1592","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017764","8.382","0.002","10.777","0.003","12.745","0.004","73.18","0.03","85.13","0.04","76.43","0.03","1071.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(9E)-9-benzylidene-3-methyl-2-(methylthio)-5-phenyl- 5,6,7,8,9,10-hexahydropyrimido[4,5-<i>b</i>]quinolin- 4(3<i>H</i>)-one","","- C26 H25 N3 O S -","- C26 H25 N3 O S -","- C52 H50 N6 O2 S2 -","2","1","SK3376","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(9<i>E</i>)-9-Benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-5,6,7,8,9,10-hexahydropyrimido[4,5-<i>b</i>]quinolin-4(3<i>H</i>)-one: polarized molecules within hydrogen-bonded bilayers","Acta Crystallographica Section C","2010","66","8","o389","o391","10.1107/S0108270110023139","","","0.71073","MoKα","","0.0816","0.0527","","","0.0945","0.1035","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017765","14.1052","0.0015","16.8934","0.0018","8.8967","0.001","90","","127.451","0.001","90","","1683","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~2~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)cadmium(II)]","","- C18 H14 Cd N2 O7 -","- C18 H14 Cd N2 O7 -","- C72 H56 Cd4 N8 O28 -","4","0.5","SQ3245","Xu, Guohai; Xie, Yongrong","Poly[aqua(μ~2~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)cadmium(II)], a threefold interpenetrating diamond net","Acta Crystallographica Section C","2010","66","8","m201","m203","10.1107/S0108270110023553","","","0.71073","MoKα","","0.0274","0.027","","","0.073","0.0734","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017766","14.617","0.003","33.273","0.007","13.897","0.003","90","","109.39","0.03","90","","6375","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(2,2'-bipyridine)-1κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'- {μ~4~-<i>N</i>,<i>N</i>'-bis[3-(2-oxidoethylamino)propyl]oxamidato(4-)- 1:2:3:4κ<i>O</i>:κ^3^<i>N</i>,<i>N</i>',<i>O</i>':κ^3^<i>O</i>'', <i>N</i>'',<i>N</i>''':κ<i>O</i>'''}tetracopper(II) tetrakis(perchlorate)","","- C52 H54 Cl4 Cu4 N12 O20 -","- C52 H54 Cl4 Cu4 N12 O20 -","- C208 H216 Cl16 Cu16 N48 O80 -","4","1","SQ3251","Li, Yan-Tuan; Li, Xiao-Wen; Wu, Zhi-Yong; Zhang, Xiao-Wei; Yan, Cui-Wei","Tetrakis(2,2'-bipyridine)-1κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'-{μ~4~-<i>N</i>,<i>N</i>'-bis[3-(2-oxidoethylamino)propyl]oxamidato(4{-})-1:2:3:4κ<i>O</i>:κ^3^<i>N</i>,<i>N</i>',<i>O</i>':κ^3^<i>O</i>'',<i>N</i>'',<i>N</i>''':κ<i>O</i>'''}tetracopper(II) tetrakis(perchlorate)","Acta Crystallographica Section C","2010","66","8","m211","m214","10.1107/S0108270110026089","","","0.71073","MoKα","","0.1277","0.0675","","","0.1597","0.1879","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017767","8.863","0.004","16.408","0.007","18.806","0.008","90","","90","","90","","2735","2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-methoxyanilinium tetrafluoroborate‒2,5,8,15,18,21- hexaoxatricyclo[20.4.0.0^9,14^]hexacosa-1(26),9,11,13,22,24-hexaene (1/1)","","- C27 H34 B F4 N O7 -","- C27 H34 B F4 N O7 -","- C108 H136 B4 F16 N4 O28 -","4","1","SQ3254","Fu, Xue-qun; Yang, Yong-le; Ye, Qiong","4-Methoxyanilinium tetrafluoroborate‒dibenzo-18-crown-6 (1/1)","Acta Crystallographica Section C","2010","66","8","o433","o435","10.1107/S0108270110027630","","","0.71073","MoKα","","0.0565","0.0502","","","0.1025","0.105","","","","","","1.155","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017768","15.3159","0.0003","8.74371","0.00012","6.2177","0.00009","81.1652","0.001","93.4835","0.001","96.4282","0.0008","816.8","0.02","298","","298","","","","","","","","","4","P -1","-P 1","2","meso-hexamethyl propylene amine oxime (meso-HMPAO)","<i>meso</i>-3,3'-[2,2-dimethylpropane-1,3-diylbis(azanediyl)]dibutan-2-one dioxime","","- C13 H28 N4 O2 -","- C13 H28 N4 O2 -","- C26 H56 N8 O4 -","2","1","SQ3256","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","Powder X-ray studies of <i>meso</i>-hexamethyl propylene amine oxime (<i>meso</i>-HMPAO) in two different phases","Acta Crystallographica, Section C","2010","66","9","o479","o483","10.1107/S0108270110032014","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.19","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017769","16.4453","0.0004","15.9587","0.0003","6.20073","0.00011","90","","94.7097","0.0013","90","","1621.86","0.06","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","meso-hexamethyl propylene amine oxime (meso-HMPAO)","<i>meso</i>-3,3'-[2,2-dimethylpropane-1,3-diylbis(azanediyl)]dibutan-2-one dioxime","","- C13 H28 N4 O2 -","- C13 H28 N4 O2 -","- C52 H112 N16 O8 -","4","1","SQ3256","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","Powder X-ray studies of <i>meso</i>-hexamethyl propylene amine oxime (<i>meso</i>-HMPAO) in two different phases","Acta Crystallographica, Section C","2010","66","9","o479","o483","10.1107/S0108270110032014","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.16","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017771","8.0594","0.0005","8.8122","0.0005","15.9964","0.0009","90","","99.4514","0.0007","90","","1120.66","0.11","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-Trifluoro-<i>N</i>-(1a,2,7,7a-tetrahydronaphtho[2,3-<i>b</i>]oxiren- 3-yl)acetamide","","- C12 H10 F3 N O2 -","- C12 H10 F3 N O2 -","- C48 H40 F12 N4 O8 -","4","1","FA3231","Rukiah, Mwaffak; Assaad, Thaer","\ 2,2,2-Trifluoro-<i>N</i>-(1a,2,7,7a-tetrahydronaphtho[2,3-<i>b</i>]oxiren-3-yl)\ acetamide by X-ray powder diffraction","Acta Crystallographica, Section C","2010","66","9","o475","o478","10.1107/S0108270110031124","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.27","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017785","10.5696","0.001","27.589","0.002","12.609","0.0014","90","","109.039","0.002","90","","3475.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis[μ-3,5-bis(2-pyridyl)-1,2,4-triazolido]bis[3,5-bis(2-pyridyl)- 1,2,4-triazolido]dicopper(I)dicopper(II) dihydrate","","- C72 H52 Cu4 N30 O2 -","- C72 H52 Cu4 N30 O2 -","- C144 H104 Cu8 N60 O4 -","2","0.5","BG3127","Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","A mixed-valence chair-like tetranuclear copper(I,II) cluster with three linking modes of the 3,5-bis(2-pyridyl)-1,2,4-triazole ligand","Acta Crystallographica Section C","2010","66","9","m249","m252","10.1107/S0108270110030313","","","0.71073","MoKα","","0.0758","0.0544","","","0.1515","0.1699","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017786","12.6991","0.0003","14.0263","0.0003","15.03","0.0003","90","","107.103","0.002","90","","2558.77","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(2,2'-diamino-4,4'-bithiazole){μ~3~-<i>cis</i>-<i>N</i>- (2-carboxylatophenyl)-<i>N</i>'-[3- (dimethylamino)propyl]oxamidato(3-)}dicopper(II)] nitrate 0.6-hydrate]","","- C20 H23.2 Cu2 N8 O7.6 S2 -","- C20 H23.2 Cu2 N8 O7.6 S2 -","- C80 H92.8 Cu8 N32 O30.4 S8 -","4","1","BG3129","Nie, Jin-Ju; Li, Yan-Tuan; Wu, Zhi-Yong; Li, Xiao-Wen; Yan, Cui-Wei","<i>catena</i>-Poly[[(2,2'-diamino-4,4'-bithiazole){μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylatophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}dicopper(II)] nitrate 0.6-hydrate]","Acta Crystallographica Section C","2010","66","11","m323","m326","10.1107/S0108270110034396","","","0.71073","MoKα","","0.0498","0.0343","","","0.0867","0.0938","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017787","25.072","0.006","46.996","0.008","3.7592","0.0007","90","","90","","90","","4429.4","1.5","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C160 H144 N80 O16 -","16","1","BM3095","Altaf, Muhammad; Stoeckli-Evans, Helen","Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","Acta Crystallographica Section C","2010","66","9","o441","o445","10.1107/S0108270110029021","","","0.71073","MoKα","","0.0856","0.0629","","","0.1449","0.1576","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017788","10.573","0.0011","7.0457","0.0005","21.261","0.002","90","","114.503","0.008","90","","1441.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","","- C16 H12 N6 O -","- C16 H12 N6 O -","- C64 H48 N24 O4 -","4","1","BM3095","Altaf, Muhammad; Stoeckli-Evans, Helen","Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","Acta Crystallographica Section C","2010","66","9","o441","o445","10.1107/S0108270110029021","","","0.71073","MoKα","","0.0433","0.0365","","","0.0906","0.0954","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017789","7.7315","0.0004","15.8398","0.0009","12.0572","0.0008","90","","94.95","0.005","90","","1471.08","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","","- C16 H12 N6 O -","- C16 H12 N6 O -","- C64 H48 N24 O4 -","4","1","BM3095","Altaf, Muhammad; Stoeckli-Evans, Helen","Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","Acta Crystallographica Section C","2010","66","9","o441","o445","10.1107/S0108270110029021","","","0.71073","MoKα","","0.0509","0.0385","","","0.092","0.0969","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017790","12.1365","0.0006","11.218","0.0007","10.3559","0.0005","90","","108.57","0.003","90","","1336.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid dimethylformamide monosolvate","","- C10 H14 N6 O3 S -","- C10 H14 N6 O3 S -","- C40 H56 N24 O12 S4 -","4","1","DN3145","Canfora, Loredana; Pillet, Sebastien; Espinosa, Enrique; Ruisi, Giuseppe","7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid as the dimethylformamide and water monosolvates at 293K","Acta Crystallographica Section C","2010","66","10","o503","o507","10.1107/S0108270110034128","","","0.71073","MoKα","","0.0737","0.0539","","","0.1084","0.1196","","","","","","1.161","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017791","4.0134","0.0003","20.3287","0.0012","12.6897","0.0007","90","","107.039","0.006","90","","989.87","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid monohydrate","","- C7 H9 N5 O3 S -","- C7 H9 N5 O3 S -","- C28 H36 N20 O12 S4 -","4","1","DN3145","Canfora, Loredana; Pillet, Sebastien; Espinosa, Enrique; Ruisi, Giuseppe","7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid as the dimethylformamide and water monosolvates at 293K","Acta Crystallographica Section C","2010","66","10","o503","o507","10.1107/S0108270110034128","","","0.71073","MoKα","","0.0463","0.0369","","","0.1046","0.1075","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017792","6.9331","0.0015","7.1079","0.0016","7.5564","0.0017","99.089","0.004","98.029","0.003","101.331","0.004","354.89","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-9<i>H</i>-purine monohydrate","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C10 H16 N12 O2 -","2","1","DN3149","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","2,6-Diamino-9<i>H</i>-purine monohydrate and bis(2,6-diamino-9<i>H</i>-purin-1-ium) 2-(2-carboxylatophenyl)acetate heptahydrate: two simple structures with very complex hydrogen-bonding schemes","Acta Crystallographica Section C","2010","66","11","o547","o552","10.1107/S0108270110035985","","","0.71073","MoKα","","0.0559","0.047","","","0.1177","0.1268","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017793","8.928","0.002","31.393","0.008","10.091","0.003","90","","90.833","0.005","90","","2828","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(2,6-diamino-9<i>H</i>-purin-1-ium) 2-(2-carboxylatophenyl)acetate heptahydrate","","- C19 H34 N12 O11 -","- C19 H34 N12 O11 -","- C76 H136 N48 O44 -","4","1","DN3149","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","2,6-Diamino-9<i>H</i>-purine monohydrate and bis(2,6-diamino-9<i>H</i>-purin-1-ium) 2-(2-carboxylatophenyl)acetate heptahydrate: two simple structures with very complex hydrogen-bonding schemes","Acta Crystallographica Section C","2010","66","11","o547","o552","10.1107/S0108270110035985","","","0.71073","MoKα","","0.1215","0.0594","","","0.123","0.1399","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017794","5.1249","0.0002","13.7748","0.0004","21.9297","0.0006","90","","90","","90","","1548.12","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Deoxy-3-fluoro-D-glucose","3-deoxy-3-fluoro-β-D-glucopyranose","","- C6 H11 F O5 -","- C6 H11 F O5 -","- C48 H88 F8 O40 -","8","2","DN3151","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Co-crystals of 3-deoxy-3-fluoro-α-<small>D</small>-glucopyranose and 3-deoxy-3-fluoro-β-<small>D</small>-glucopyranose","Acta Crystallographica Section C","2010","66","11","o557","o560","10.1107/S0108270110040096","","","1.54178","CuKα","","0.0284","0.0272","","","0.069","0.0699","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017795","5.2585","0.0007","6.0483","0.0005","42.133","0.004","90","","90","","90","","1340","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>S</i>-(4-Nitrophenyl) 4-nitrobenzenethiosulfonate","","- C12 H8 N2 O6 S2 -","- C12 H8 N2 O6 S2 -","- C48 H32 N8 O24 S8 -","4","1","EG3053","Brito, Iván; Albanez, Joselyn; Bolte, Michael; Cárdenas, Alejandro","<i>S</i>-(4-Nitrophenyl) 4-nitrobenzenethiosulfonate","Acta Crystallographica Section C","2010","66","9","o466","o468","10.1107/S0108270110027678","","","0.71073","MoKα","","0.0875","0.0635","","","0.1478","0.1574","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017796","23.406","0.005","18.97","0.004","27.592","0.006","90","","94.73","0.004","90","","12209","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dodeca-μ~2~-benzoato-tetrabenzoatotetra-μ~4~-oxido-octachromium(III) acetonitrile tetrasolvate dihydrate","","- C120 H92 Cr8 N4 O38 -","- C120 H92 Cr8 N4 O38 -","- C480 H368 Cr32 N16 O152 -","4","0.5","EG3055","Fielden, John; Ellern, Arkady; Kögerler, Paul","[Cr~8~(PhCO~2~)~16~O~4~]·4CH~3~CN·2H~2~O: structural origin of magnetic anisotropy in a molecular spin cluster","Acta Crystallographica Section C","2010","66","9","m253","m256","10.1107/S0108270110032683","","","0.71073","MoKα","","0.0932","0.0496","","","0.1219","0.1468","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017797","10.4995","0.0004","15.4913","0.0005","9.8227","0.0003","90","","101.117","0.003","90","","1567.69","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(5a<i>R</i>*,11b<i>R</i>*)-9-methoxy-3,8,11b-trimethyl- 5,6,7,11b-tetrahydro-1<i>H</i>-pentaleno[1,6a-<i>a</i>]naphthalen- 4(2<i>H</i>)-one","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","EG3057","Kennedy, Alan R.; Kerr, William J.; Paterson, Laura C.; Sutherland, Andrew","A tetrahydropentaleno[1,6a-<i>a</i>]naphthalen-4(2<i>H</i>)-one of defined relative stereochemistry for use towards Agariblazeispirol C","Acta Crystallographica Section C","2010","66","9","o473","o474","10.1107/S0108270110031781","","","0.71073","MoKα","","0.0865","0.0467","","","0.091","0.1","","","","","","0.96","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017798","17.0125","0.0002","11.047","0.0002","17.2731","0.0003","90","","110.385","0.001","90","","3042.95","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dmh101","Bis(μ~2~-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)- bis[(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II)]‒urea‒acetone (1/6/2)","","- C52 H80 Cu2 N12 O16 -","- C52 H80 Cu2 N12 O16 -","- C104 H160 Cu4 N24 O32 -","2","0.5","EG3059","Ho, Douglas M.","A urea adduct of bis(hinokitiolato)copper(II)","Acta Crystallographica Section C","2010","66","10","m294","m299","10.1107/S0108270110035602","","","0.71073","MoKα","","0.0943","0.0529","","","0.1238","0.1465","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017799","16.8182","0.0009","16.8182","0.0009","7.524","0.0004","90","","90","","90","","2128.2","0.2","294","2","294","2","","","","","","","","4","I 4","I 4","79","","<i>catena</i>-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1- carboxylato)]","","- C48 H60 O16 Th -","- C48 H60 O16 Th -","- C96 H120 O32 Th2 -","2","0.25","EG3060","Nazarenko, Olga M.; Rusanova, Julia A.; Krautscheid, Harald; Domasevitch, Konstantin V.","<i>catena</i>-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1-carboxylato)]: a quadruple helical strand driven by a synergy of coordination and hydrogen bonding","Acta Crystallographica Section C","2010","66","10","m276","m279","10.1107/S0108270110034785","","","0.71073","MoKα","","0.0191","0.0186","","","0.0356","0.0356","","","","","","0.957","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017800","9.504","0.0019","9.888","0.002","11.713","0.002","80.19","0.03","81.13","0.03","74.88","0.03","1040.1","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2,6-bis(benzimidazol-2-yl)pyridine‒terephthalic acid‒water (2/1/4)","","- C23 H20 N5 O4 -","- C23 H20 N5 O4 -","- C46 H40 N10 O8 -","2","1","EM3031","Xiao, Hailian; Wang, Guixue; Jian, Fangfang","Supramolecular interactions in the 2,6-bis(benzimidazol-2-yl)pyridine‒terephthalic acid‒water (2/1/4) cocrystal","Acta Crystallographica Section C","2010","66","9","o446","o448","10.1107/S0108270110025552","","","0.71073","MoKα","","0.117","0.0531","","","0.1309","0.171","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017801","13.72031","0.00018","7.34436","0.0001","11.04962","0.00014","90","","106.12","0.0007","90","","1069.66","0.02","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Methyl-1'-aminoferrocene-1-carboxylate","Methyl 1'-aminoferrocene-1-carboxylate","","- C12 H13 Fe N O2 -","- C12 H13 Fe N O2 -","- C48 H52 Fe4 N4 O8 -","4","1","EM3033","Förster, Christoph; Siebler, Daniel; Heinze, Katja","Ferrocene compounds: methyl 1'-aminoferrocene-1-carboxylate","Acta Crystallographica Section C","2010","66","9","m235","m237","10.1107/S0108270110025746","","","0.71073","MoKα","","0.0307","0.0267","","","0.0691","0.0706","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017802","12.7099","0.0008","11.2854","0.0007","9.4153","0.0006","90","","90","","90","","1350.5","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Zinc Ethylenediaminetetraacetate Monohydrate","poly[aqua(μ~5~-ethylenediaminetetraacetato)dizinc(II)]","","- C10 H14 N2 O9 Zn2 -","- C10 H14 N2 O9 Zn2 -","- C40 H56 N8 O36 Zn8 -","4","1","EM3034","Gelabert, Maria C.; Hart, Jennifer; Emge, Thomas J.","Hydrothermal synthesis and extended structure of poly[aqua(μ~5~-ethylenediaminetetraacetato)dizinc(II)]","Acta Crystallographica Section C","2010","66","11","m327","m329","10.1107/S0108270110037625","","","0.71073","MoKα","","0.0268","0.0249","","","0.0549","0.0556","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017803","6.9061","0.0008","8.3585","0.0012","11.7666","0.0016","75.066","0.001","80.565","0.002","76.003","0.001","633.04","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis{μ-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate","","- C18 H24 Cl2 N6 O6 Zn2 -","- C18 H24 Cl2 N6 O6 Zn2 -","- C18 H24 Cl2 N6 O6 Zn2 -","1","0.5","FA3235","Wang, Jing-lin; Liu, Bin; Yang, Bin-sheng","Bis{μ-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate, with non-aromatic‒aromatic π‒π stacking and N—H···Cl—Zn hydrogen bonding","Acta Crystallographica Section C","2010","66","10","m280","m282","10.1107/S0108270110033561","","","0.71073","MoKα","","0.0781","0.0572","","","0.1363","0.1462","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017804","15.1215","0.0004","13.2206","0.0003","11.9113","0.0003","90","","107.527","0.003","90","","2270.7","0.1","130","2","130","2","","","","","","","","7","P 1 c 1","P -2yc","7","","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)silver(I) trifluoromethanesulfonate","","- C21 H18 Ag F3 N6 O3 S -","- C21 H18 Ag F3 N6 O3 S -","- C84 H72 Ag4 F12 N24 O12 S4 -","4","2","FA3242","Żyto, Magdalena; Wicher, Barbara; Gdaniec, Maria","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)silver(I) trifluoromethanesulfonate: polar arrangement of trifluoromethanesulfonate anions in a pseudo-centrosymmetric framework of coordination cations","Acta Crystallographica Section C","2010","66","11","m355","m357","10.1107/S0108270110044070","","","0.71073","MoKα","","0.0358","0.0248","","","0.0488","0.0543","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017805","4.292","0.0001","23.2084","0.0007","11.4552","0.0003","90","","95.393","0.002","90","","1136.01","0.05","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,4-dihydroxybenzophenone monohydrate","(3,4-dihydroxyphenyl)(phenyl)methanone monohydrate","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","FG3171","Landre, I. M. R.; Souza, T. E.; Corrêa, R. S.; Martins, F. T.; Doriguetto, A. C.","A monohydrate pseudopolymorph of 3,4-dihydroxybenzophenone and the role of water in the crystal assembly of benzophenones","Acta Crystallographica Section C","2010","66","9","o463","o465","10.1107/S0108270110028544","","","0.71073","MoKα","","0.0769","0.0501","","","0.1357","0.1577","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017806","25.942","0.004","9.4027","0.0015","14.667","0.002","90","","105.842","0.015","90","","3441.8","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-chlorobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C160 H136 Cl16 N8 O8 -","8","1","FG3177","Manszewski, Tomasz; Prukała, Dorota; Prukała, Wiesław; Kubicki, Maciej","Two isomorphous azastilbene derivatives: 1-(2-chlorobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride and 1-(2-bromobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide","Acta Crystallographica Section C","2010","66","10","o493","o495","10.1107/S0108270110034827","","","0.71073","MoKα","","0.0699","0.0361","","","0.0872","0.0944","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017807","26.462","0.003","9.4974","0.0015","14.813","0.002","90","","105.793","0.015","90","","3582.3","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-bromobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide","","- C20 H17 Br2 N O -","- C20 H17 Br2 N O -","- C160 H136 Br16 N8 O8 -","8","1","FG3177","Manszewski, Tomasz; Prukała, Dorota; Prukała, Wiesław; Kubicki, Maciej","Two isomorphous azastilbene derivatives: 1-(2-chlorobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride and 1-(2-bromobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide","Acta Crystallographica Section C","2010","66","10","o493","o495","10.1107/S0108270110034827","","","0.71073","MoKα","","0.0631","0.0318","","","0.071","0.083","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017808","9.3243","0.0012","11.0261","0.0014","19.675","0.003","90","","98.872","0.002","90","","1998.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~4~-biphenyl-3,3',4,4'-tetracarboxylato)bis[μ~2~-1,4-bis(imidazol- 1-ylmethyl)benzene]dicobalt(II)]","","- C22 H17 Co N4 O4 -","- C22 H17 Co N4 O4 -","- C88 H68 Co4 N16 O16 -","4","1","FG3189","Wang, Zi-Liang; Li, Ming-Xue","Poly[(μ~4~-biphenyl-3,3',4,4'-tetracarboxylato)bis[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene]dicobalt(II)]","Acta Crystallographica Section C","2010","66","10","m311","m313","10.1107/S0108270110038503","","","0.71073","MoKα","","0.0737","0.0495","","","0.092","0.1011","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017809","4.812","0.003","15.505","0.008","18.958","0.01","90","","90","","90","","1414.5","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-His-L-Ser 3.7-hydrate","L-Histidyl-L-serine 3.7-hydrate","","- C9 H21.4 N4 O7.7 -","- C9 H18 N4 O7.7 -","- C36 H72 N16 O30.8 -","4","1","FG3190","Görbitz, Carl Henrik","<small>L</small>-Histidyl-<small>L</small>-serine 3.7-hydrate: water channels in the crystal structure of a polar dipeptide","Acta Crystallographica Section C","2010","66","11","o531","o534","10.1107/S0108270110038254","","","0.71073","MoKα","","0.0905","0.0479","","","0.1073","0.1313","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017810","7.008","0.0014","18.717","0.004","24.825","0.005","90","","90","","90","","3256.3","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[(1<i>S</i>)-1,4-azanediyl-1-(9-deazaadenin-9-yl)-1,4-dideoxy-5-methylsulfanyl-D-ribitol] tetrakis(hydrochloride) monohydrate","","- C24 H40 Cl4 N10 O5 S2 -","- C24 H40 Cl4 N10 O5 S2 -","- C96 H160 Cl16 N40 O20 S8 -","4","1","FG3191","Gainsford, Graeme J.; Evans, Gary B.; Johnston, Karen A.; Seth, Michael","Bis[(1<i>S</i>)-1,4-azanediyl-1-(9-deazaadenin-9-yl)-1,4-dideoxy-5-methylsulfanyl-<small>D</small>-ribitol] tetrakis(hydrochloride) monohydrate: structure, DFT energy and ligand docking results of a potent methylthioadenosine phosphorylase inhibitor found in different molecular conformations","Acta Crystallographica Section C","2010","66","11","o527","o530","10.1107/S0108270110037121","","","0.92014","synchrotron","","0.0269","0.0265","","","0.0652","0.0656","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017811","17.006","0.0004","7.957","0.0002","31.76","0.0005","90","","90","","90","","4297.66","0.16","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)","","- C40 H30 Fe N20 O2 S2 -","- C40 H30 Fe N20 O2 S2 -","- C160 H120 Fe4 N80 O8 S8 -","4","1","FG3192","Setifi, Zouaoui; Gaamoune, Bachir; Stoeckli-Evans, Helen; Rouag, Djamil-Azzeddine; Setifi, Fatima","A new coordination complex based on a polynitrile ligand: bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)","Acta Crystallographica Section C","2010","66","10","m286","m289","10.1107/S010827011003578X","","","0.71073","MoKα","","0.0787","0.0383","","","0.0811","0.1033","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017812","22.2716","0.0001","12.6944","0.0001","23.6689","0.0002","90","","109.749","0.0004","90","","6298.19","0.08","160","1","160","1","","","","","","","","7","P 1 21 1","P 2yb","4","","(<i>P</i>)-chloridobis[(<i>S</i>)-(+)-5-(3,5-dioxa-4- phosphacyclohepta[2,1-<i>a</i>;3,4-<i>a</i>']dinaphthalen-4-yl)- dibenz[<i>b</i>,<i>f</i>]azepine]iridium(I)‒benzene‒pentane (1/1/1)","","- C79 H62 Cl Ir N2 O4 P2 -","- C79 H62 Cl Ir N2 O4 P2 -","- C316 H248 Cl4 Ir4 N8 O16 P8 -","4","2","FG3194","Linden, Anthony; Dorta, Romano","An optically pure P‒alkene-ligated Ir^I^ complex","Acta Crystallographica Section C","2010","66","10","m290","m293","10.1107/S0108270110036413","","","0.71073","MoKα","","0.0312","0.028","","","0.0659","0.0678","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017813","16.7558","0.0015","9.9188","0.0007","9.7665","0.0006","90","","110.14","0.008","90","","1523.9","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-(propane-1,3-diyl)bis(pyridine-2-carboxamide)","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","FG3197","Munro, Orde Q.; Wilson, Colin","Amide hydrogen bonding: control of the molecular and extended structures of two symmetrical pyridine-2-carboxamide derivatives","Acta Crystallographica Section C","2010","66","11","o535","o539","10.1107/S0108270110039983","","","0.71073","MoKα","","0.049","0.0374","","","0.0967","0.1014","","","","","","0.984","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017814","5.3215","0.0002","7.2734","0.0004","9.7993","0.0005","83.509","0.004","77.256","0.004","81.005","0.004","364.18","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-(butane-1,4-diyl)bis(pyridine-2-carboxamide)","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","1","0.5","FG3197","Munro, Orde Q.; Wilson, Colin","Amide hydrogen bonding: control of the molecular and extended structures of two symmetrical pyridine-2-carboxamide derivatives","Acta Crystallographica Section C","2010","66","11","o535","o539","10.1107/S0108270110039983","","","0.71073","MoKα","","0.0513","0.044","","","0.1313","0.136","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017815","9.6668","0.0003","11.7616","0.0004","9.5471","0.0003","90","","97.21","0.002","90","","1076.89","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(2-hydroxycyclohexyl)-<i>N</i>,<i>N</i>'- bis(2-hydroxyethyl)ethane-1,2-diaminium dichloride","","- C18 H38 Cl2 N2 O4 -","- C18 H38 Cl2 N2 O4 -","- C36 H76 Cl4 N4 O8 -","2","0.5","FG3200","de Sousa, Alvaro S.; Hlam, Zanele; Fernandes, Manuel A.; Marques, Helder M.","<i>N</i>,<i>N</i>'-Bis(2-hydroxycyclohexyl)-<i>N</i>,<i>N</i>'-bis(2-hydroxyethyl)ethane-1,2-diaminium dichloride","Acta Crystallographica Section C","2010","66","11","o553","o556","10.1107/S0108270110039995","","","0.71073","MoKα","","0.0445","0.0343","","","0.0812","0.0855","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017816","6.5323","0.0002","9.2055","0.0003","12.6007","0.0003","90","","90","","90","","757.72","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-deoxy-4-fluoro-β-D-glucopyranose","4-Deoxy-4-fluoro-β-D-<i>ribo</i>-hexopyranose","","- C6 H11 F O5 -","- C6 H11 F O5 -","- C24 H44 F4 O20 -","4","1","FN3060","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","4-Deoxy-4-fluoro-β-<small>D</small>-glucopyranose","Acta Crystallographica Section C","2010","66","10","o496","o498","10.1107/S0108270110034001","","","1.54178","CuKα","","0.0257","0.0254","","","0.0669","0.0671","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017817","11.5203","0.0014","5.3453","0.0006","11.154","0.0013","90","","120.919","0.002","90","","589.25","0.12","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Sodium Octofuorotantalate","trisodium octafluoridotantalate","","- F8 Na3 Ta -","- F8 Na3 Ta -","- F32 Na12 Ta4 -","4","0.5","FN3061","Langer, Vratislav; Smrčok, Ľubomír; Boča, Miroslav","Redetermination of Na~3~TaF~8~","Acta Crystallographica Section C","2010","66","9","i85","i86","10.1107/S0108270110030556","","","0.71073","MoKα","","0.0292","0.0242","","","0.0489","0.0514","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017818","7.3878","0.0002","22.2436","0.0009","8.655","0.0003","90","","93.716","0.002","90","","1419.3","0.08","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-bis(<i>trans</i>-cyclohexane-1,2-diamine)bis(6-methyl-2,2,4- trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ido)copper(II)","","- C20 H36 Cu N6 O8 S2 -","- C20 H36 Cu N6 O8 S2 -","- C40 H72 Cu2 N12 O16 S4 -","2","0.5","GA3156","Şahin, Zarife Sibel; Sevindi, Fatma; İçbudak, Hasan; Işık, Şamil","Structural properties of <i>trans</i>-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates","Acta Crystallographica Section C","2010","66","10","m314","m318","10.1107/S0108270110037066","","","0.71073","MoKα","","0.0449","0.0394","","","0.1048","0.1077","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017819","6.7489","0.0008","8.8871","0.0011","13.5562","0.0015","73.476","0.009","80.522","0.009","77.176","0.009","755.56","0.16","296","","296","","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-diaquabis(cyclohexane-1,2-diamine)zinc(II) 6-methyl-2,2,4- trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ide dihydrate","","- C20 H44 N6 O12 S2 Zn -","- C20 H44 N6 O12 S2 Zn -","- C20 H44 N6 O12 S2 Zn -","1","0.5","GA3156","Şahin, Zarife Sibel; Sevindi, Fatma; İçbudak, Hasan; Işık, Şamil","Structural properties of <i>trans</i>-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates","Acta Crystallographica Section C","2010","66","10","m314","m318","10.1107/S0108270110037066","","","0.71073","MoKα","","0.0386","0.0335","","","0.0862","0.089","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017820","8.0705","0.001","8.589","0.001","25.177","0.003","83.096","0.01","82.87","0.011","73.675","0.011","1655.2","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","[aquachlorido(2,2':6',2''-terpyridyl-κ^3^N,N',N'')]copper(II) [chlorido(2,2':6',2''-terpyridyl-κ^3^N,N',N'')(dithionato-κO)]cuprate(II) dihydrate","","- C30 H28 Cl2 Cu2 N6 O9 S2 -","- C30 H28 Cl2 Cu2 N6 O9 S2 -","- C60 H56 Cl4 Cu4 N12 O18 S4 -","2","1","GA3158","Schmitt, Laurette; Labat, Gaël; Stoeckli-Evans, Helen","Crystal-to-crystal transformation upon dehydration of a copper(II) 2,2':6',2''-terpyridine complex","Acta Crystallographica Section C","2010","66","11","m343","m347","10.1107/S0108270110041090","","","0.71073","MoKα","","0.0459","0.0421","","","0.1128","0.1157","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017821","8.1961","0.0013","8.6029","0.0015","12.2566","0.0019","107.927","0.013","99.171","0.013","105.244","0.013","765.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","(μ-dithionato-1:2κ^2^O:O')-bis[2,2':6',2''-terpyridyl-κ^3^N,N',N'')\ copper(II)] monohydrate","","- C30 H24 Cl2 Cu2 N6 O7 S2 -","- C30 H24 Cl2 Cu2 N6 O7 S2 -","- C30 H24 Cl2 Cu2 N6 O7 S2 -","1","0.5","GA3158","Schmitt, Laurette; Labat, Gaël; Stoeckli-Evans, Helen","Crystal-to-crystal transformation upon dehydration of a copper(II) 2,2':6',2''-terpyridine complex","Acta Crystallographica Section C","2010","66","11","m343","m347","10.1107/S0108270110041090","","","0.71073","MoKα","","0.052","0.034","","","0.0754","0.0792","","","","","","0.888","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017822","12.0121","0.0015","31.327","0.004","8.8522","0.0011","90","","109.794","0.002","90","","3134.3","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[[triaqua{μ~4~-2-[4,6-bis(carboxymethylsulfanyl)-1,3,5-triazin-2-\ ylsulfanyl]acetato}{μ~2~-2-[4,6-bis(carboxymethylsulfanyl)-1,3,5-triazin-\ 2-ylsulfanyl]acetato}barium(II)] monohydrate]","","- C18 H24 Ba N6 O16 S6 -","- C18 H24 Ba N6 O16 S6 -","- C72 H96 Ba4 N24 O64 S24 -","4","1","GA3159","Lu, Qingxiang; Wang, Daqi; Wang, Suna","A novel (4,6)-connected double-layered Ba^II^ coordination polymer based on the flexible tricarboxylate ligand 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]triacetic acid","Acta Crystallographica Section C","2010","66","11","m351","m354","10.1107/S0108270110042496","","","0.71073","MoKα","","0.0539","0.0333","","","0.0475","0.0521","","","","","","0.841","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017823","6.89","0.0009","20.3139","0.0018","7.2562","0.001","90","","113.138","0.009","90","","933.9","0.2","291","0.3","291","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate","","- C7 H6 Cl N3 O4 -","- C7 H6 Cl N3 O4 -","- C28 H24 Cl4 N12 O16 -","4","1","GD3352","Kruszynski, Rafal; Trzesowska-Kruszynska, Agata","Halogen, hydrogen and electrostatic interactions in 2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate and 2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate","Acta Crystallographica Section C","2010","66","9","o449","o454","10.1107/S0108270110029008","","","0.71073","MoKα","","0.0357","0.0347","","","0.0908","0.0913","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017824","6.1743","0.0008","17.6159","0.0019","9.7682","0.0011","90","","101.869","0.009","90","","1039.7","0.2","291","0.3","291","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate","","- C7 H6 Cl2 N2 O5 -","- C7 H6 Cl2 N2 O5 -","- C28 H24 Cl8 N8 O20 -","4","1","GD3352","Kruszynski, Rafal; Trzesowska-Kruszynska, Agata","Halogen, hydrogen and electrostatic interactions in 2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate and 2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate","Acta Crystallographica Section C","2010","66","9","o449","o454","10.1107/S0108270110029008","","","0.71073","MoKα","","0.0275","0.0268","","","0.0709","0.0713","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017825","14.185","0.003","4.628","0.0009","18.483","0.004","90","","96.91","0.03","90","","1204.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Monothioindigo, Ciba violet A","(<i>E</i>)-2-(3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene)-2,3- dihydro-1<i>H</i>-indol-3-one","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C64 H36 N4 O8 S4 -","4","1","GD3356","Brüning, Jürgen; Heintz, Desiree; Meents, Alke; Bolte, Michael; Schmidt, Martin U.","Monothioindigo, determined by microcrystal structure analysis","Acta Crystallographica Section C","2010","66","9","o459","o462","10.1107/S0108270110027800","","","0.7084","synchrotron","","0.0781","0.0585","","","0.1466","0.1596","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017826","25.763","0.003","8.5526","0.0009","24.496","0.003","90","","116.458","0.003","90","","4832.1","1","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[(<i>E</i>)-4-Allyl-1-(2-oxidobenzylidene)thiosemicarbazidato- κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>][(<i>Z</i>)-4-allyl-2-(2- hydroxybenzylidene)thiosemicarbazide-κ<i>S</i>]copper(II) monohydrate","","- C22 H26 Cu N6 O3 S2 -","- C22 H26 Cu N6 O3 S2 -","- C176 H208 Cu8 N48 O24 S16 -","8","2","GD3359","Bon, Vladimir V.","The first square-planar copper(II) 1:2 complex with differently coordinated 2-hydroxybenzaldehyde 4-allylthiosemicarbazone ligands","Acta Crystallographica Section C","2010","66","10","m300","m302","10.1107/S0108270110035754","","","0.71073","MoKα","","0.0507","0.0358","","","0.0683","0.0742","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017827","9.3235","0.001","12.1765","0.0014","15.5502","0.0015","109.796","0.005","92.666","0.006","108.745","0.005","1548.9","0.3","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","(Acetato-κ^2^<i>O</i>,<i>O</i>')dihydroxidoytterbium(III) hemihydrate","","- C2 H6 O4.5 Yb -","- C2 H5.66667 O4.5 Yb -","- C24 H68 O54 Yb12 -","12","6","GD3360","Zehnder, Ralph A.; Renn, Robert A.; Fronczek, Frank R.","(Acetato-κ^2^<i>O</i>,<i>O</i>')dihydroxidoytterbium(III) hemihydrate","Acta Crystallographica Section C","2010","66","10","m307","m310","10.1107/S0108270110037595","","","0.71073","MoKα","","0.057","0.044","","","0.113","0.12","","","","","","1.005","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017828","7.1545","0.0002","11.0251","0.0003","18.1342","0.0005","90","","98.349","0.003","90","","1415.25","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide- κN)copper(II) 1.5 hydrate","","- C20 H30 Cu2 N4 O17 -","- C20 H30 Cu2 N4 O17 -","- C40 H60 Cu4 N8 O34 -","2","0.5","GD3364","Perec, Mireille; Baggio, Ricardo","Aqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide-κ<i>N</i>^1^)copper(II) sesquihydrate","Acta Crystallographica Section C","2010","66","11","m339","m342","10.1107/S0108270110040989","","","0.71073","MoKα","","0.0472","0.0338","","","0.0856","0.0888","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017829","7.1469","0.0003","8.7025","0.0004","9.11","0.0004","90","","104.056","0.002","90","","549.64","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Amino-1-(2-deoxy-β-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-1,2,3- triazolo[4,5-<i>d</i>]pyrimidine","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C18 H24 N12 O6 -","2","1","GD3369","Jiang, Dawei; He, Yang; Budow, Simone; Kazimierczuk, Zygmunt; Eickmeier, Henning; Reuter, Hans; Seela, Frank","7-Amino-1-(2-deoxy-β-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidine: an 8-azaadenine nucleoside with the nucleobase in a <i>syn</i> conformation","Acta Crystallographica Section C","2010","66","11","o561","o564","10.1107/S0108270110043088","","","0.71073","MoKα","","0.0279","0.0276","","","0.0751","0.0755","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017830","19.068","0.0008","16.017","0.0005","20.013","0.0008","90","","104.353","0.004","90","","5921.4","0.4","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[μ-hydrogen bis(<i>N</i>,<i>N</i>'-dioxidobutane-2,3-diimine)]tetrakis(1,10- phenanthroline)cobalt(III) trinitrate ethanol disolvate 1.87-hydrate","","- C60 H60.74 Co2 N15 O16.87 -","- C60 H60.744 Co2 N15 O16.864 -","- C240 H242.976 Co8 N60 O67.456 -","4","0.5","GG3237","Czapik, Agnieszka; Gdaniec, Maria","Two cobalt(III) mono-dimethylglyoximates isolated from one reaction","Acta Crystallographica Section C","2010","66","9","m257","m262","10.1107/S0108270110032968","","","0.71073","MoKα","","0.0876","0.0432","","","0.0868","0.0954","","","","","","0.886","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017831","13.7587","0.0001","11.9763","0.0001","18.2055","0.0002","90","","96.744","0.001","90","","2979.11","0.05","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>-hydroxy-<i>N</i>'-oxidobutane-2,3-diimine(1-)- κ^2^<i>N</i>,<i>N</i>']bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>)cobalt(III) dinitrate ethanol monosolvate 0.4-hydrate","","- C30 H29.8 Co N8 O9.4 -","- C30 H29.403 Co N8 O9.403 -","- C120 H117.612 Co4 N32 O37.612 -","4","1","GG3237","Czapik, Agnieszka; Gdaniec, Maria","Two cobalt(III) mono-dimethylglyoximates isolated from one reaction","Acta Crystallographica Section C","2010","66","9","m257","m262","10.1107/S0108270110032968","","","1.54184","CuKα","","0.0438","0.0381","","","0.1067","0.109","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017832","12.6799","0.0003","12.0326","0.0003","11.6791","0.0002","90","","94.5495","0.0017","90","","1776.29","0.07","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>cis</i>-diacetonitrile[(1<i>R</i>,2<i>R</i>)-1,2-diaminocyclohexane- κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate monohydrate","","- C10 H22 N6 O7 Pt -","- C10 H22 N6 O7 Pt -","- C40 H88 N24 O28 Pt4 -","4","2","GG3238","Pažout, Richard; Housková, Jitka; Dušek, Michal; Maixner, Jaroslav; Cibulková, Jana; Kačer, Petr","A new [(1<i>R</i>,2<i>R</i>)-1,2-diaminocyclohexane]platinum(II) complex: formation by nitrate‒acetonitrile ligand exchange","Acta Crystallographica Section C","2010","66","10","m273","m275","10.1107/S0108270110033135","","","0.71073","MoKα","","0.0136","0.0121","","","0.0298","0.0301","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017833","23.0675","0.0003","23.0675","0.0003","21.716","0.0004","90","","90","","120","","10007.2","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","","1,3,4-Triphenyl-7-(trifluoromethyl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C29 H18 F3 N3 -","- C29 H18 F3 N3 -","- C522 H324 F54 N54 -","18","3","GG3239","Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna","1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K","Acta Crystallographica Section C","2010","66","9","o488","o492","10.1107/S010827011003297X","","","0.71073","MoKα","","0.0557","0.0439","","","0.0998","0.1049","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017834","23.2368","0.0003","23.2368","0.0003","22.1155","0.0003","90","","90","","120","","10341.4","0.2","293","2","293","2","","","","","","","","4","P 65","P 65","170","","1,3,4-Triphenyl-7-(trifluoromethyl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C29 H18 F3 N3 -","- C29 H18 F3 N3 -","- C522 H324 F54 N54 -","18","3","GG3239","Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna","1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K","Acta Crystallographica Section C","2010","66","9","o488","o492","10.1107/S010827011003297X","","","0.71073","MoKα","","0.1076","0.0598","","","0.1408","0.1624","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017835","8.8941","0.00011","8.8941","0.00011","9.68482","0.00013","90","","90","","120","","663.478","0.015","110","2","110","2","","","","","","","","6","P -3","-P 3","147","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O4 S Zn -","- C12 H48 N12 O8 S2 Zn2 -","2","0.333333","GG3243","Lutz, Martin","Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section C","2010","66","11","m330","m335","10.1107/S0108270110041466","","","0.71073","MoKα","","0.0157","0.0153","","","0.0374","0.0375","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017836","8.8749","0.0007","17.6358","0.0011","19.1559","0.0011","89.582","0.003","90.296","0.005","119.845","0.004","2600.5","0.3","110","2","110","2","","","","","","","","6","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O4 S -","- C48 H192 Cu8 N48 O32 S8 -","8","","GG3243","Lutz, Martin","Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section C","2010","66","11","m330","m335","10.1107/S0108270110041466","","","0.71073","MoKα","","0.0548","0.0325","","","0.0669","0.0757","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017837","8.974","0.004","7.1817","0.0008","22.718","0.009","90","","95.39","0.03","90","","1457.7","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>S</i>*,4<i>R</i>*)-2-<i>exo</i>-(1-Naphthyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","2","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.0602","0.0459","","","0.0927","0.0986","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017838","10.776","0.0013","8.9612","0.0011","15.4241","0.0015","90","","96.799","0.01","90","","1479","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>SR</i>,4<i>RS</i>)-7-Methyl-2-<i>exo</i>-(1-naphthyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.1061","0.0588","","","0.1343","0.1667","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017839","7.2209","0.0005","13.14","0.002","17.559","0.002","90","","90","","90","","1666","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>*,4<i>R</i>*)-2-<i>exo</i>-(1-Naphthyl)-7-trifluoromethyl-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C21 H16 F3 N O2 -","- C21 H16 F3 N O2 -","- C84 H64 F12 N4 O8 -","4","1","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.0511","0.0399","","","0.0809","0.0857","","","","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017840","7.4394","0.0007","14.498","0.003","15.136","0.003","90","","90","","90","","1632.5","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-8-Chloro-9-methyl-2-<i>exo</i>-(1-naphthyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C21 H18 Cl N O -","- C21 H18 Cl N O -","- C84 H72 Cl4 N4 O4 -","4","1","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.0662","0.0455","","","0.0834","0.0904","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017841","8.4577","0.0005","9.8762","0.0006","17.7889","0.0011","88.392","0.003","85.871","0.003","83.69","0.003","1472.77","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(prop-2-enamide)copper(II) bis(perchlorate)","","- C18 H30 Cl2 Cu N6 O14 -","- C18 H30 Cl2 Cu N6 O14 -","- C36 H60 Cl4 Cu2 N12 O28 -","2","1","GT3024","Kellett, Andrew; Rosair, Georgina; Devereux, Michael; McNamara, Mary; McCann, Malachy","Hexakis(prop-2-enamide)copper(II) bis(perchlorate) and hexakis(prop-2-enamide)manganese(II) bis(perchlorate)","Acta Crystallographica Section C","2010","66","11","m358","m362","10.1107/S0108270110038813","","","0.71073","MoKα","","0.0418","0.0308","","","0.0761","0.0814","","","","","","1.008","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017842","9.2804","0.0006","15.9533","0.001","10.6876","0.0007","90","","111.642","0.003","90","","1470.79","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexakis(prop-2-enamide)manganese(II) bis(perchlorate)","","- C18 H30 Cl2 Mn N6 O14 -","- C18 H30 Cl2 Mn N6 O14 -","- C36 H60 Cl4 Mn2 N12 O28 -","2","0.5","GT3024","Kellett, Andrew; Rosair, Georgina; Devereux, Michael; McNamara, Mary; McCann, Malachy","Hexakis(prop-2-enamide)copper(II) bis(perchlorate) and hexakis(prop-2-enamide)manganese(II) bis(perchlorate)","Acta Crystallographica Section C","2010","66","11","m358","m362","10.1107/S0108270110038813","","","0.71073","MoKα","","0.0481","0.0342","","","0.0842","0.0896","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017843","18.8725","0.001","18.4777","0.0008","13.417","0.002","90","","134.307","0.007","90","","3348.2","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-Benzyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-<i>b</i>]quinolin-2-iminium chloride sesquihydrate","","- C18 H18 Cl N4 O2.5 -","- C18 H17 Cl N4 O2.5 -","- C144 H136 Cl8 N32 O20 -","8","1","GZ3179","Trilleras, Jorge; López, Luis G.; Cobo, Justo; Glidewell, Christopher","10-Benzyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-<i>b</i>]quinolin-2-iminium chloride sesquihydrate: a polarized electronic structure within a complex hydrogen-bonded sheet structure","Acta Crystallographica Section C","2010","66","9","o469","o472","10.1107/S010827011003115X","","","0.71073","MoKα","","0.0745","0.0442","","","0.0939","0.1066","","","","","","1.062","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017844","17.8278","0.001","26.2103","0.0016","12.2116","0.0007","90","","108.069","0.001","90","","5424.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,6'-dimethoxygossypolone","7,7'-dihydroxy-5,5'-diisopropyl-6,6'-dimethoxy-3,3'-dimethyl- 1,1',4,4'-tetraoxo-2,2'-binaphthalene-8,8'-dicarbaldehyde","","- C32 H30 O10 -","- C32 H30 O10 -","- C256 H240 O80 -","8","2","KU3027","Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.","6,6'-Dimethoxygossypolone","Acta Crystallographica Section C","2010","66","10","o517","o520","10.1107/S0108270110036541","","","0.71073","MoKα","","0.0573","0.0446","","","0.1184","0.1271","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017845","4.8745","0.0006","6.4545","0.0008","8.7361","0.001","87.93","0.009","74.396","0.009","83.062","0.009","262.79","0.06","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","Iron dialuminide","","- Al12.59 Fe6.41 -","- Al12.59 Fe6.41 -","- Al12.59 Fe6.41 -","1","0.5","KU3029","Chumak, Ihor; Richter, Klaus W.; Ehrenberg, Helmut","Redetermination of iron dialuminide, FeAl~2~","Acta Crystallographica Section C","2010","66","9","i87","i88","10.1107/S0108270110033202","","","0.71073","MoKα","","0.0951","0.0515","","","0.1178","0.1359","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017846","12.483","0.004","17.516","0.007","12.604","0.004","90","","90.22","0.02","90","","2755.9","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 Cl2 Co N4 -","- C21.997 H39.991 Cl2 Co N4 -","- C87.988 H159.964 Cl8 Co4 N16 -","4","1","KU3032","Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James","Intramolecular hydrogen bonding in dichloridobis(3,5-di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) as a consequence of ligand steric bulk","Acta Crystallographica Section C","2010","66","11","m336","m338","10.1107/S0108270110040412","","","1.54178","CuKα","","0.0796","0.0675","","","0.194","0.2051","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017847","9.2636","0.0005","12.2989","0.0005","3.01309","0.00015","90","","90","","90","","343.29","0.03","298","2","298","2","","","","","","","","4","P b a m","-P 2 2ab","55","","pentamagnesium titanium(IV) tetraoxide bis(borate)","","- B2 Mg5 O10 Ti -","- B2 Mg5 O10 Ti -","- B4 Mg10 O20 Ti2 -","2","0.25","KU3033","Kawano, Tetsuya; Yamane, Hisanori","Mg~5~TiO~4~(BO~3~)~2~","Acta Crystallographica Section C","2010","66","10","i92","i94","10.1107/S0108270110036577","","","0.71073","MoKα","","0.0243","0.0203","","","0.065","0.0704","","","","","","1.287","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017848","8.464","0.0006","19.2334","0.0014","9.0134","0.0006","90","","94.68","0.001","90","","1462.41","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[aqua(μ~7~-ethylenediaminetetraacetato)dicadmium(II)] monohydrate]","","- C10 H16 Cd2 N2 O10 -","- C10 H16 Cd2 N2 O10 -","- C40 H64 Cd8 N8 O40 -","4","1","LG3036","Yang, Er-Lei; Jiang, Yun-Liang; Wang, Yu-Ling; Liu, Qing-Yan","Poly[[aqua(μ~7~-ethylenediaminetetraacetato)dicadmium(II)] monohydrate]","Acta Crystallographica Section C","2010","66","9","m231","m234","10.1107/S0108270110029124","","","0.71073","MoKα","","0.0284","0.0263","","","0.0719","0.0731","","","","","","1.031","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017849","11.6507","0.0004","8.76","0.0005","11.7169","0.0006","90","","113.572","0.004","90","","1096.05","0.1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Λ(+)~578~-bis(en)[(S-Asp(OEt)O)]cobalt(III) perchlorate monohydrate","Λ(+)~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) bis(perchlorate) monohydrate","","- C10 H28 Cl2 Co N5 O13 -","- C10 H28 Cl2 Co N5 O13 -","- C20 H56 Cl4 Co2 N10 O26 -","2","1","LG3040","Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne","Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato]cobalt(III) bis(perchlorate) monohydrate","Acta Crystallographica Section C","2010","66","11","m319","m322","10.1107/S0108270110036851","","","0.71073","MoKα","","0.0495","0.0445","","","0.1301","0.1386","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017850","9.2898","0.0003","9.2898","0.0003","48.9696","0.0014","90","","90","","90","","4226.1","0.2","122","1","122","1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Δ(-)~578~-bis(en)[(S-Asp(OEt)O)]cobalt(III) perchlorate monohydrate","Δ(-)~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) bis(perchlorate) monohydrate","","- C10 H28 Cl2 Co N5 O13 -","- C10 H28 Cl2 Co N5 O13 -","- C80 H224 Cl16 Co8 N40 O104 -","8","1","LG3040","Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne","Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato]cobalt(III) bis(perchlorate) monohydrate","Acta Crystallographica Section C","2010","66","11","m319","m322","10.1107/S0108270110036851","","","0.71073","MoKα","","0.0309","0.0264","","","0.0608","0.0635","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017851","8.25","0.0003","6.0649","0.0002","20.5484","0.0008","90","","96.479","0.004","90","","1021.58","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","i>N-</i>(4-fluorophenyl)pyridine-2-carboxamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","LN3145","Wilson, Colin R.; Munro, Orde Q.","Unconventional hydrogen bonding and π-stacking in two substituted pyridine carboxamides","Acta Crystallographica Section C","2010","66","10","o513","o516","10.1107/S0108270110036218","","","0.71073","MoKα","","0.0596","0.0486","","","0.1333","0.145","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017852","6.149","0.0003","7.3055","0.0003","13.6613","0.0005","100.162","0.004","97.147","0.003","112.76","0.004","544.33","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","<i>N-</i>(4-nitrophenyl)pyridine-2-carboxamide","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C24 H18 N6 O6 -","2","1","LN3145","Wilson, Colin R.; Munro, Orde Q.","Unconventional hydrogen bonding and π-stacking in two substituted pyridine carboxamides","Acta Crystallographica Section C","2010","66","10","o513","o516","10.1107/S0108270110036218","","","0.71073","MoKα","","0.0491","0.0413","","","0.1185","0.1237","","","","","","1.073","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017853","22.3152","0.0002","11.722","0.0001","22.2786","0.0001","90","","112.415","0.001","90","","5387.31","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tungsten chloride cluster","bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate","","- C32 H72 Cl14 N2 W6 -","- C32 H72 Cl14 N2 W6 -","- C128 H288 Cl56 N8 W24 -","4","1","MX3029","Johnston, Dean H.; Brown, Chris M.; Yu, Andrew S.; Gallucci, Judith C.","A low-temperature phase of bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate","Acta Crystallographica Section C","2010","66","10","m303","m306","10.1107/S0108270110037017","","","0.71073","MoKα","","0.0551","0.0307","","","0.0487","0.0536","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017854","22.3689","0.0002","11.7596","0.0001","22.3108","0.0002","90","","112.32","0.001","90","","5429.13","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tungsten chloride cluster","bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate","","- C32 H72 Cl14 N2 W6 -","- C32 H72 Cl14 N2 W6 -","- C128 H288 Cl56 N8 W24 -","4","1","MX3029","Johnston, Dean H.; Brown, Chris M.; Yu, Andrew S.; Gallucci, Judith C.","A low-temperature phase of bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate","Acta Crystallographica Section C","2010","66","10","m303","m306","10.1107/S0108270110037017","","","0.71073","MoKα","","0.0562","0.0307","","","0.0586","0.0639","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017855","17.467","0.003","9.205","0.0016","18.183","0.003","90","","90","","90","","2923.5","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-Diphenylbenzamide","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","MX3035","Choudhury, Diganta; Banik, Abhijit; Sarma, Rupam","<i>N</i>,<i>N</i>-Diphenylbenzamide","Acta Crystallographica Section C","2010","66","10","o524","o526","10.1107/S0108270110036887","","","0.71073","MoKα","","0.0517","0.0358","","","0.0972","0.103","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017856","6.3902","0.0003","31.1619","0.0014","10.5428","0.0005","90","","93.77","0.001","90","","2094.85","0.17","165","2","165","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[diaquabis(μ~3~-hexamethylenetetramine)[μ~2~-2,2'-(piperazine-1,4- diyl)bis(ethanesulfonato)]disilver(I)]","","- C20 H68 Ag2 N10 O20 S2 -","- C20 H68 Ag2 N10 O20 S2 -","- C40 H136 Ag4 N20 O40 S4 -","2","0.5","SF3135","Guo, Peng; Wang, Jing; Pan, Dao-cheng; Xu, Guo-Hai","Poly[diaquabis(μ~3~-hexamethylenetetramine)[μ~2~-2,2'-(piperazine-1,4-diyl)bis(ethanesulfonato)]disilver(I)]: a three-dimensional pillared-layer framework encapsulating a water chain of (H~2~O)~12~ clusters","Acta Crystallographica Section C","2010","66","9","m266","m268","10.1107/S0108270110032609","","","0.71073","MoKα","","0.0413","0.0297","","","0.0787","0.0936","","","","","","1.135","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017857","8.0997","0.0007","8.436","0.0006","9.3521","0.0009","98.558","0.007","99.869","0.008","91.64","0.007","621.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","hexaaqua nickel(II) bissulfato-1,4,8,11-tetraazacyclotetradecane nickelate(II) dihydrate","","- C10 H40 N4 Ni2 O16 S2 -","- C10 H40 N4 Ni2 O16 S2 -","- C10 H40 N4 Ni2 O16 S2 -","1","0.5","SF3137","Churchard, Andrew James; Cyrański, Michał Ksawery; Grochala, Wojciech","Hexaaquanickel(II) disulfato(1,4,8,11-tetraazacyclotetradecane)nickelate(II) dihydrate","Acta Crystallographica Section C","2010","66","9","m263","m265","10.1107/S0108270110031598","","","0.71073","MoKα","","0.0247","0.0179","","","0.0394","0.0402","","","","","","0.945","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017858","7.5621","0.0002","24.0471","0.0006","8.8524","0.0002","90","","111.966","0.001","90","","1492.92","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-[(4-Fluorophenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol","","- C17 H13 F N2 O3 -","- C17 H13 F N2 O3 -","- C68 H52 F4 N8 O12 -","4","1","SK3380","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Neves, M. A. C.; Sá e Melo, M. L.","6-[(4-Fluorophenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol","Acta Crystallographica Section C","2010","66","10","o499","o502","10.1107/S0108270110034773","","","0.71073","MoKα","","0.0728","0.0439","","","0.1092","0.1245","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017859","7.6404","0.0002","8.8734","0.0002","13.0368","0.0003","100.627","0.001","91.113","0.001","109.804","0.001","814.1","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-[(4-methoxyphenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","SK3380","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Neves, M. A. C.; Sá e Melo, M. L.","6-[(4-Fluorophenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol","Acta Crystallographica Section C","2010","66","10","o499","o502","10.1107/S0108270110034773","","","0.71073","MoKα","","0.1022","0.0462","","","0.1071","0.1298","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017860","15.1851","0.0003","18.6584","0.0006","19.9114","0.0006","90","","91.3","0.002","90","","5640","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","benzidinium bis(5-sulfonate) dihydrate","biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","","- C26 H28 N2 O14 S2 -","- C26 H28 N2 O14 S2 -","- C208 H224 N16 O112 S16 -","8","2","SK3381","Yin, Wen-xing; Huang, Xue-ying; Xu, Xing-man; Meng, Xiang-gao","Two three-dimensional networks in two polymorphs of biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","Acta Crystallographica Section C","2010","66","10","o508","o512","10.1107/S0108270110034657","","","0.71073","Mokα","","0.146","0.063","","","0.1278","0.1653","","","","","","0.948","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017861","8.6625","0.0014","9.2851","0.0015","9.7249","0.0016","76.514","0.002","72.834","0.003","77.947","0.003","718.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","benzidinium bis(5-sulfonate) dihydrate","biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","","- C26 H28 N2 O14 S2 -","- C26 H28 N2 O14 S2 -","- C26 H28 N2 O14 S2 -","1","0.5","SK3381","Yin, Wen-xing; Huang, Xue-ying; Xu, Xing-man; Meng, Xiang-gao","Two three-dimensional networks in two polymorphs of biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","Acta Crystallographica Section C","2010","66","10","o508","o512","10.1107/S0108270110034657","","","0.71073","Mokα","","0.0605","0.0542","","","0.1474","0.1539","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017862","4.176","0.0006","11.296","0.002","12.07","0.003","116.929","0.015","90.478","0.013","95.767","0.015","504.13","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Cyano-<i>N</i>-(4,6-dimethoxypyrimidin-2-yl)acetamide","","- C9 H10 N4 O3 -","- C9 H10 N4 O3 -","- C18 H20 N8 O6 -","2","1","SK3387","Gálvez, Jaime A.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","2-Cyano-<i>N</i>-(4,6-dimethoxypyrimidin-2-yl)acetamide: complex sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2010","66","10","o521","o523","10.1107/S010827011003619X","","","0.71073","MoKα","","0.0974","0.0583","","","0.1413","0.1626","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017863","17.3649","0.0009","8.6087","0.0004","23.8669","0.0012","90","","90","","90","","3567.8","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-benzotriazole-5-carboxylato- κ^4^<i>N</i>^1^:<i>N</i>^3^:<i>O</i>,<i>O</i>')(1,4,8,9-tetraazatriphenylene- κ^2^<i>N</i>^8^,<i>N</i>^9^)zinc(II)] 0.25-hydrate]","","- C21 H11.5 N7 O2.25 Zn -","- C21 H11 N7 O2.25 Zn -","- C168 H88 N56 O18 Zn8 -","8","1","SQ3250","Lu, Rui-Yun; Luan, Guo-You; Han, Zheng-Bo","A two-dimensional Zn^II^ coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene","Acta Crystallographica Section C","2010","66","10","m283","m285","10.1107/S0108270110033998","","","0.71073","MoKα","","0.0355","0.0272","","","0.0682","0.0706","","","","","","0.968","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017864","24.0774","0.0019","8.5348","0.0007","19.2633","0.0015","90","","109.634","0.001","90","","3728.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dipotassium bis(sulfito-κ<i>S</i>)mercurate(II) 2.25-hydrate","","- H4.5 Hg K2 O8.25 S2 -","- Hg K2 O8.25 S2 -","- Hg16 K32 O132 S32 -","16","2","SQ3257","Weil, Matthias; Baumann, Stefan O.; Breitinger, Dietrich K.","K~2~[Hg(SO~3~)~2~]·2.25H~2~O","Acta Crystallographica Section C","2010","66","10","i89","i91","10.1107/S0108270110032373","","","0.71073","MoKα","","0.0269","0.0231","","","0.0567","0.0582","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017865","10.9066","0.0007","15.0537","0.001","15.0663","0.001","75.89","0.001","74.199","0.001","81.399","0.001","2299.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>- imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]","","- C52 H30 N10 O8 Pb2 -","- C52 H30 N10 O8 Pb2 -","- C104 H60 N20 O16 Pb4 -","2","1","SQ3261","Xu, Zhan-Lin; Ma, Xiao-Yuan; Ma, Shuai; Wang, Xiu-Yan","Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>-imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]: an interpenetrating α-Po net","Acta Crystallographica Section C","2010","66","9","m245","m248","10.1107/S0108270110032026","","","0.71073","MoKα","","0.0441","0.0305","","","0.0651","0.0699","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017866","10.744","0.004","14.847","0.003","6.722","0.003","90","","105.51","0.03","90","","1033.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","tetrasodium cobalt aluminium hexaarsenate","","- Al0.91 As6 Co5.63 Na4 O24 -","- Al0.916 As6 Co5.63 Na4 O24 -","- Al1.832 As12 Co11.26 Na8 O48 -","2","0.25","SQ3262","Marzouki, Riadh; Guesmi, Abderrahmen; Driss, Ahmed","The novel arsenate Na~4~Co~7{-~<i>x</i>}Al~2/3<i>x~</i>(AsO~4~)~6~ (<i>x</i> = 1.37): crystal structure, charge-distribution and bond-valence-sum investigations","Acta Crystallographica Section C","2010","66","10","i95","i98","10.1107/S0108270110037376","","","0.71073","MoKα","","0.0312","0.0261","","","0.0656","0.0678","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017867","20.218","0.014","7.968","0.004","10.208","0.005","90","","91.288","0.013","90","","1644.1","1.6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","<i>catena</i>-Poly[bis[1-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane] [cadmium(II)-tri-μ-chlorido-[chloridocadmium(II)]-di-μ-chlorido- [chloridocadmium(II)]-tri-μ-chlorido] tetrahydrate]","","- C14 H38 Cd3 Cl12 N4 O4 -","- C14 H38 Cd3 Cl12 N4 O4 -","- C28 H76 Cd6 Cl24 N8 O8 -","2","0.25","SQ3266","Xiao, Jing-Mei","<i>catena</i>-Poly[bis[1-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane] [cadmium(II)-tri-μ-chlorido-[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-tri-μ-chlorido] tetrahydrate]","Acta Crystallographica Section C","2010","66","11","m348","m350","10.1107/S0108270110040813","","","0.71073","MoKα","","0.028","0.0228","","","0.0624","0.085","","","","","","1.295","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017868","4.8188","0.0003","14.6889","0.0008","11.2087","0.0008","90","","91.855","0.002","90","","792.97","0.09","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diammonium 2,2'-[2,5-bis(carboxymethyl)-1,4-phenylenedioxy]diacetate","","- C14 H20 N2 O10 -","- C14 H20 N2 O10 -","- C28 H40 N4 O20 -","2","0.5","SU3049","Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel","Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations","Acta Crystallographica Section C","2010","66","9","m238","m244","10.1107/S0108270110031318","","","0.71073","MoKα","","0.0633","0.0429","","","0.0929","0.102","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017869","10.2508","0.0002","11.1655","0.0003","14.7606","0.0004","79.5944","0.0012","82.151","0.0012","69.9402","0.0017","1555.74","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","poly[[aquabis[μ~4~-2,2'-(2-carboxylatomethyl-5-carboxymethyl-1,4- phenylenedioxy)diacetato]dilanthanum(III)] monohydrate]","","- C28 H26 La2 O22 -","- C28 H26 La2 O22 -","- C56 H52 La4 O44 -","2","1","SU3049","Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel","Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations","Acta Crystallographica Section C","2010","66","9","m238","m244","10.1107/S0108270110031318","","","0.71073","MoKα","","0.0517","0.0369","","","0.0825","0.0893","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017870","8.9186","0.0004","12.2656","0.0007","16.3199","0.0008","90","","91.384","0.004","90","","1784.75","0.16","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[{μ~4~-2,2'-[2,5-bis(carboxymethyl)-1,4-phenylenedioxy]diacetato}zinc(II)] trihydrate]","","- C14 H18 O13 Zn -","- C14 H10 O10 Zn -","- C56 H40 O40 Zn4 -","4","1","SU3049","Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel","Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations","Acta Crystallographica Section C","2010","66","9","m238","m244","10.1107/S0108270110031318","","","0.71073","MoKα","","0.1093","0.0729","","","0.2003","0.2204","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017871","7.7218","0.0004","8.352","0.0005","10.7204","0.0006","108.621","0.003","94.915","0.003","92.412","0.003","651.01","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","poly[[diaqua(μ~2~-4,4'-bipyridyl){μ~4~-2,2'-[2,5-bis(carboxymethyl)-1,4- phenylenedioxy]diacetato}dizinc(II)] dihydrate]","","- C24 H26 N2 O14 Zn2 -","- C24 H26 N2 O14 Zn2 -","- C24 H26 N2 O14 Zn2 -","1","0.5","SU3049","Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel","Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations","Acta Crystallographica Section C","2010","66","9","m238","m244","10.1107/S0108270110031318","","","0.71073","MoKα","","0.0644","0.0481","","","0.0865","0.0922","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017872","6.163","0.0006","13.7698","0.001","12.4856","0.0011","90","","101.37","0.008","90","","1038.77","0.16","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","poly[bis[μ~4~-1,2-bis(1,2,4-triazol-4-yl)ethane]di-μ~2~-fluorido-\ tetrafluoridodi-μ~2~-oxido-dicopper(I)divanadium(IV)]","","- C12 H16 Cu2 F6 N12 O2 V2 -","- C12 H16 Cu2 F6 N12 O2 V2 -","- C24 H32 Cu4 F12 N24 O4 V4 -","2","0.5","SU3051","Sharga, Olena V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.","A three-dimensional heterometallic Cu^I^/V^IV^ 1,2-bis(1,2,4-triazol-4-yl)ethane framework: a new insight into the structure of vanadium oxyfluoride coordination hybrids","Acta Crystallographica Section C","2010","66","9","m269","m272","10.1107/S0108270110034323","","","0.71073","MoKα","","0.0316","0.0263","","","0.067","0.0684","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017873","8.1826","0.0003","18.153","0.0007","13.4723","0.0004","90","","92.601","0.002","90","","1999.1","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-[[[6-[[(<i>N</i>-benzylcarbamimidoyl)amino]methyl]pyridine-2- carbonyl]amino]methyl]benzoic acid","<i>N</i>-benzyl-<i>N</i>'-{6-[(4-carboxylatobenzyl)aminocarbonyl]- 2-pyridylmethyl}guanidinium","","- C23 H23 N5 O3 -","- C23 H23 N5 O3 -","- C92 H92 N20 O12 -","4","1","UK3023","Ashiq, Muhammad Irfan; Hussain, Ishtiaq; Dixon, Sally; Light, Mark E.; Kilburn, Jeremy D.","Dimeric supramolecular motifs of two carboxylate‒guanidinium compounds","Acta Crystallographica Section C","2010","66","9","o455","o458","10.1107/S0108270110029252","","","0.71073","MoKα","","0.0876","0.0604","","","0.1167","0.1323","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017874","11.0848","0.0009","11.5591","0.0007","11.9676","0.0011","99.956","0.005","98.908","0.003","117.818","0.004","1286.03","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","4-[[[6-[[[<i>N</i>-[3-(benzylamino)-3-oxo-propyl]carbamimidoyl]amino]methyl] pyridine-2-carbonyl]amino]methyl]benzoic acid monohydrate","<i>N</i>-[2-(benzylaminocarbonyl)ethyl]-<i>N</i>'-{6-[(4- carboxylatobenzyl)aminocarbonyl]-2-pyridylmethyl}guanidinium monohydrate","","- C26 H30 N6 O5 -","- C26 H30 N6 O5 -","- C52 H60 N12 O10 -","2","1","UK3023","Ashiq, Muhammad Irfan; Hussain, Ishtiaq; Dixon, Sally; Light, Mark E.; Kilburn, Jeremy D.","Dimeric supramolecular motifs of two carboxylate‒guanidinium compounds","Acta Crystallographica Section C","2010","66","9","o455","o458","10.1107/S0108270110029252","","","0.71073","MoKα","","0.1078","0.0765","","","0.1337","0.1452","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017875","4.7071","0.0005","20.125","0.002","20.903","0.002","90","","90","","90","","1980.1","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-allopyranoside tetrahydrate","","- C13 H32 O15 -","- C13 H32 O15 -","- C52 H128 O60 -","4","1","UK3025","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-allopyranoside tetrahydrate","Acta Crystallographica Section C","2010","66","9","o484","o487","10.1107/S0108270110029471","","","0.7749","synchrotron","","0.0426","0.0391","","","0.0999","0.1024","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017876","8.7346","0.0017","10.187","0.002","14.253","0.003","70.79","0.003","76.059","0.003","78.143","0.004","1151.3","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-\ trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-\ 1-benzothiophene-3-carboxamide","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C52 H56 N4 O8 S2 -","2","1","BI3001","Darshan, Govindaiah; Vasu; Chopra, Deepak; Saravanan, Janardhanan","<i>N</i>-(<i>X</i>-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2010","66","12","o571","o574","10.1107/S0108270110040448","","","0.71073","MoKα","","0.0551","0.0408","","","0.1095","0.1153","","","","","","1.022","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017877","13.437","0.005","12.993","0.005","27.088","0.01","90","","90","","90","","4729","3","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-\ trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-\ 1-benzothiophene-3-carboxamide","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C208 H224 N16 O32 S8 -","8","1","BI3001","Darshan, Govindaiah; Vasu; Chopra, Deepak; Saravanan, Janardhanan","<i>N</i>-(<i>X</i>-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2010","66","12","o571","o574","10.1107/S0108270110040448","","","0.71073","MoKα","","0.0659","0.0447","","","0.1152","0.1234","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017878","27.922","0.006","6.4261","0.0008","14.668","0.003","90","","118.849","0.018","90","","2305.2","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(2-Aminophenyl)-3-(4-pyridyl)prop-2-en-1-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","EG3062","Cuenú, Fernando; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","1-(2-Aminophenyl)-3-(4-pyridyl)prop-2-en-1-one: a three-dimensional framework structure built from N—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","12","o589","o592","10.1107/S0108270110040825","","","0.71073","MoKα","","0.0854","0.0492","","","0.1065","0.1261","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017879","5.7773","0.0001","5.7773","0.0001","13.0852","0.0003","90","","90","","120","","378.234","0.013","353","","353","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","strontium haxavanadium undecaoxide","","- O11 Sr V6 -","- O11 Sr V6 -","- O22 Sr2 V12 -","2","0.0833333","FA3226","Hata, Yoshiaki; Kanke, Yasushi; Kita, Eiji","The structural phase transition in SrV~6~O~11~","Acta Crystallographica Section C","2010","66","12","i99","i102","10.1107/S0108270110046299","","","0.71073","MoKα","","0.0209","0.0205","","","0.0533","0.0535","","","","","","1.369","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017880","5.7702","0.0001","5.7702","0.0001","13.0784","0.0003","90","","90","","120","","377.109","0.013","295","","295","","","","","","","","","3","P 63 m c","P 6c -2c","186","","strontium haxavanadium undecaoxide","","- O11 Sr V6 -","- O11 Sr V6 -","- O22 Sr2 V12 -","2","0.166667","FA3226","Hata, Yoshiaki; Kanke, Yasushi; Kita, Eiji","The structural phase transition in SrV~6~O~11~","Acta Crystallographica Section C","2010","66","12","i99","i102","10.1107/S0108270110046299","","","0.71073","MoKα","","0.0216","0.0216","","","0.0548","0.0549","","","","","","1.205","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017881","11.9437","0.001","12.5913","0.0012","13.8768","0.0013","104.9","0.001","100.968","0.002","115.129","0.001","1715.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","thiamiine iodide","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl- 1,3-thiazol-3-ium iodide 1.25-hydrate","","- C12 H19.5 I N4 O2.25 S -","- C12 H19.5 I N4 O2.25 S -","- C48 H78 I4 N16 O9 S4 -","4","2","FA3240","Li, Shu-Qiang; Hu, Ning-Hai","Interaction of thiamine with anions in the triclinic form of thiamine iodide: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium iodide 1.25-hydrate","Acta Crystallographica Section C","2010","66","12","o581","o584","10.1107/S0108270110043325","","","0.71073","MoKα","","0.0627","0.0527","","","0.1473","0.1563","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017882","5.88","0.0012","11.46","0.002","16.14","0.003","103.53","0.03","99.31","0.03","104.61","0.03","994.6","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2,6-bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine","","- C23 H19 N7 -","- C23 H19 N7 -","- C46 H38 N14 -","2","1","FG3196","Danielraj, Paulraj; Varghese, Babu; Sankararaman, S.","2,6-Bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine and its octahedral copper complex","Acta Crystallographica Section C","2010","66","12","m366","m370","10.1107/S010827011004223X","","","0.71073","MoKα","","0.1214","0.0543","","","0.1333","0.1849","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017883","8.299","0.0017","12.956","0.003","14.52","0.003","88.56","0.03","84.76","0.03","87.36","0.03","1552.7","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","aqua[2,6-bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4- yl)pyridine](pyridine)(tetrafluoroborato)copper(II) tetrafluoroborate","","- C28 H26 B2 Cu F8 N8 O -","- C28 H26 B2 Cu F8 N8 O -","- C56 H52 B4 Cu2 F16 N16 O2 -","2","1","FG3196","Danielraj, Paulraj; Varghese, Babu; Sankararaman, S.","2,6-Bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine and its octahedral copper complex","Acta Crystallographica Section C","2010","66","12","m366","m370","10.1107/S010827011004223X","","","0.71073","MoKα","","0.1157","0.056","","","0.1203","0.1493","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017884","7.278","0.001","11.977","0.002","14.268","0.001","81.31","0.002","76.269","0.001","85.793","0.001","1193.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,2'-biimidazolium bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')bis(biphenyl- 2,4'-dicarboxylato-κ<i>O</i>)manganese(II) hexahydrate","","- C46 H48 Mn N12 O14 -","- C46 H48 Mn N12 O14 -","- C46 H48 Mn N12 O14 -","1","0.5","FG3201","Wang, Zi-Liang; Wei, Lin-heng; Li, Ming-Xue","A three-dimensional framework in 2,2'-biimidazolium bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')bis(biphenyl-2,4'-dicarboxylato-κ<i>O</i>)manganese(II) hexahydrate","Acta Crystallographica Section C","2010","66","12","m387","m390","10.1107/S0108270110046743","","","0.71073","MoKα","","0.0573","0.0467","","","0.1116","0.1171","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017885","6.9961","0.0001","7.9421","0.0001","13.0864","0.0002","73.3925","0.0006","84.1579","0.0006","70.8388","0.0006","658.168","0.016","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","","- C12 H17 Cl N2 O S -","- C12 H17 Cl N2 O S -","- C24 H34 Cl2 N4 O2 S2 -","2","1","FG3203","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","Acta Crystallographica Section C","2010","66","12","o593","o595","10.1107/S0108270110045099","","","0.71073","MoKα","","0.0304","0.0281","","","0.0709","0.0722","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017886","11.8877","0.0002","9.212","0.0002","12.6673","0.0003","90","","99.0242","0.001","90","","1370.02","0.05","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","","- C12 H17 Cl N2 O S -","- C12 H17 Cl N2 O S -","- C48 H68 Cl4 N8 O4 S4 -","4","1","FG3203","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","Acta Crystallographica Section C","2010","66","12","o593","o595","10.1107/S0108270110045099","","","0.71073","MoKα","","0.062","0.0419","","","0.1017","0.1117","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017887","13.4426","0.0011","13.7495","0.0013","8.3662","0.0015","90","","100.752","0.013","90","","1519.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipocotamide picrate","4-carbamoylpiperidinium 2,4,6-trinitrophenolate","","- C12 H15 N5 O8 -","- C12 H15 N5 O8 -","- C48 H60 N20 O32 -","4","1","FG3206","Smith, Graham; Wermuth, Urs D.","Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section C","2010","66","12","o609","o613","10.1107/S010827011004672X","","","0.71073","MoKα","","0.053","0.0359","","","0.1011","0.107","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017888","11.7131","0.0012","12.645","0.0011","11.8521","0.0014","90","","118.196","0.014","90","","1547.1","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","isonipecotamide 3,5-dinitrosalicylate (polymorph 1)","4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","","- C13 H16 N4 O8 -","- C13 H16 N4 O8 -","- C52 H64 N16 O32 -","4","1","FG3206","Smith, Graham; Wermuth, Urs D.","Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section C","2010","66","12","o609","o613","10.1107/S010827011004672X","","","0.71073","MoKα","","0.056","0.0388","","","0.0921","0.0983","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017889","6.4628","0.0004","10.2375","0.0005","23.8964","0.0012","98.644","0.004","96.905","0.005","100.753","0.005","1517.65","0.15","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isonipecotamide 3,5-dinitrosalicylate: polymorph 2","4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","","- C13 H16 N4 O8 -","- C13 H16 N4 O8 -","- C52 H64 N16 O32 -","4","2","FG3206","Smith, Graham; Wermuth, Urs D.","Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section C","2010","66","12","o609","o613","10.1107/S010827011004672X","","","0.71073","MoKα","","0.0598","0.0387","","","0.0875","0.0948","","","","","","0.819","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017890","10.7425","0.001","16.0538","0.0015","8.5067","0.0008","90","","97.224","0.009","90","","1455.4","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium cyclohexane-1,2-dicarboxylate","bis(guanidinium) <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylate","","- C10 H22 N6 O4 -","- C10 H22 N6 O4 -","- C40 H88 N24 O16 -","4","1","GD3361","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)","Acta Crystallographica Section C","2010","66","12","o575","o580","10.1107/S0108270110042356","","","0.71073","MoKα","","0.0472","0.0349","","","0.086","0.089","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017891","20.97","0.003","5.1421","0.0006","22.241","0.002","90","","107.577","0.014","90","","2286.3","0.5","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","guanidinium hydrogen isophthalate monohydrate","guanidinium 3-carboxybenzoate monohydrate","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C72 H104 N24 O40 -","8","1","GD3361","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)","Acta Crystallographica Section C","2010","66","12","o575","o580","10.1107/S0108270110042356","","","0.71073","MoKα","","0.067","0.052","","","0.1489","0.1555","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017892","18.0402","0.0007","5.142","0.0002","18.1496","0.0007","90","","110.297","0.004","90","","1579.07","0.11","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(guanidinium) terephthalate trihydrate","bis(guanidinium) benzene-1,4-dicarboxylate trihydrate","","- C10 H22 N6 O7 -","- C10 H22 N6 O7 -","- C40 H88 N24 O28 -","4","0.5","GD3361","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)","Acta Crystallographica Section C","2010","66","12","o575","o580","10.1107/S0108270110042356","","","0.71073","MoKα","","0.0541","0.0393","","","0.1089","0.1138","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017893","24.0265","0.0016","8.7253","0.0006","19.4746","0.0013","90","","90","","90","","4082.6","0.5","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","Poly[[tetraaquadi-μ~4~-glutarato-μ~2~-terephthalato-dineodymium(III)] heptadecahydrate]","","- C18 H58 Nd2 O33 -","- C18 H58 Nd2 O33 -","- C72 H232 Nd8 O132 -","4","0.25","GD3367","Zehnder, Ralph A.; Fontaine, Nick C.; Zeller, Matthias; Renn, Robert A.","Poly[[tetraaquadi-μ~4~-glutarato-μ~2~-terephthalato-dineodymium(III)] heptadecahydrate]","Acta Crystallographica Section C","2010","66","12","m371","m374","10.1107/S0108270110044872","","","0.71073","MoKα","","0.0337","0.0286","","","0.0784","0.083","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017894","12.4911","0.0006","8.51","0.0004","13.2883","0.0007","90","","90","","90","","1412.54","0.12","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","5,5'-Bis(hydroxymethyl)-3,3'-dimethoxy-2,2'-biphenyldiol","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","0.5","GG3249","Langer, Vratislav; Lundquist, Knut","5,5'-Bis(hydroxymethyl)-3,3'-dimethoxybiphenyl-2,2'-diol with a new three-dimensional 3-modal topology of synthons","Acta Crystallographica Section C","2010","66","12","o606","o608","10.1107/S0108270110046913","","","0.71073","MoKα","","0.0492","0.038","","","0.1083","0.116","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017895","7.7873","0.0009","7.1895","0.0008","11.1111","0.0012","90","","99.274","0.005","90","","613.94","0.12","210","2","210","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(6aS,9S,10aR)-11,11-dimethyl-5,5-dioxo-2,3,8,9-tetrahydro-6<i>H</i>-6a,9- methanooxazaolo[2,3-<i>i</i>][2,1]benzisothiazol-10(7<i>H</i>)-one","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C24 H34 N2 O8 S2 -","2","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0373","0.0306","","","0.0686","0.0715","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017896","15.5889","0.0008","15.9297","0.0008","16.2269","0.0011","60.863","0.002","72.511","0.003","82.119","0.002","3356.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Hexakis(adamantyltrimethylammonium) cyclooctasilicate tetratetracontahydrate","","- C78 H234 N6 O64 Si8 -","- C77.82 H233.7 N6 O64 Si8 -","- C77.82 H233.7 N6 O64 Si8 -","1","0.5","SF3136","Verlooy, Pieter L. H.; Robeyns, Koen; Van Meervelt, Luc; Kirschhock, Christine E. A.; Martens, Johan A.","Hexakis(adamantyltrimethylammonium) cyclooctasilicate tetratetracontahydrate","Acta Crystallographica Section C","2010","66","12","o619","o622","10.1107/S0108270110044549","","","1.54178","CuKα","","0.0748","0.0651","","","0.1782","0.1864","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017897","7.0202","0.0014","5.6645","0.0011","9.938","0.002","90","","106.06","0.03","90","","379.77","0.14","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate]","","- C5 H10 Cu O6 -","- C5 H10 Cu O6 -","- C10 H20 Cu2 O12 -","2","1","SK3385","Guo, Ming-Lin; Wang, Feng-Qin","Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate] and poly[aqua-μ~3~-2,2-dimethylmalonato-copper(II)]","Acta Crystallographica Section C","2010","66","12","m379","m383","10.1107/S010827011004761X","","","0.71073","MoKα","","0.0606","0.0564","","","0.1494","0.1517","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017898","8.7697","0.0018","8.5492","0.0017","9.3313","0.0019","90","","105.42","0.03","90","","674.4","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[aqua-μ~3~-2,2-dimethylmalonato-copper(II)]","","- C5 H8 Cu O5 -","- C5 H8 Cu O5 -","- C20 H32 Cu4 O20 -","4","1","SK3385","Guo, Ming-Lin; Wang, Feng-Qin","Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate] and poly[aqua-μ~3~-2,2-dimethylmalonato-copper(II)]","Acta Crystallographica Section C","2010","66","12","m379","m383","10.1107/S010827011004761X","","","0.71073","MoKα","","0.0389","0.0349","","","0.0829","0.0858","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017899","3.7762","0.0003","16.3219","0.0011","11.6334","0.0008","90","","91.525","0.005","90","","716.77","0.09","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Formylsalicylic acid","5-Formyl-2-hydroxybenzoic acid","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","SK3389","Lu, Yu-Bing; Yang, Ping; Huang, Wen-Na; Yang, Yan-Na; Wu, Jian-Zhong","5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate","Acta Crystallographica Section C","2010","66","12","o596","o599","10.1107/S0108270110044926","","","0.71073","MoKα","","0.0591","0.0405","","","0.1111","0.1234","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017900","16.2033","0.0004","8.1005","0.0002","18.8425","0.0005","90","","90","","90","","2473.17","0.11","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-(benzimidazolium-2-yl)salicylate","5-(1<i>H</i>-benzimidazol-3-ium-2-yl)-2-hydroxybenzoate","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C112 H80 N16 O24 -","8","1","SK3389","Lu, Yu-Bing; Yang, Ping; Huang, Wen-Na; Yang, Yan-Na; Wu, Jian-Zhong","5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate","Acta Crystallographica Section C","2010","66","12","o596","o599","10.1107/S0108270110044926","","","0.71073","MoKα","","0.0676","0.041","","","0.0935","0.104","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017901","6.775","0.004","6.924","0.003","22.815","0.009","84.69","0.03","84.73","0.05","68.34","0.04","988.5","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}-2-methylpropanoic acid","","- C17 H32 O2 S3 -","- C17 H32 O2 S3 -","- C34 H64 O4 S6 -","2","1","SK3394","Zuluaga, Fabio; Grande, Carlos; Cobo, Justo; Glidewell, Christopher","2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}-2-methylpropanoic acid: a chain of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(20) rings built from O—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2010","66","12","o627","o630","10.1107/S0108270110044884","","","0.71073","MoKα","","0.0795","0.0513","","","0.1151","0.1291","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017902","16.586","0.004","14.082","0.003","10.507","0.002","90","","103.22","0.03","90","","2389","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-benzyl-3-(4-<i>n</i>-octyloxybenzylidene)dithiocarbazato- κ^2^<i>N</i>^3^,<i>S</i>']palladium(II)","","- C46 H58 N4 O2 Pd S4 -","- C46 H58 N4 O2 Pd S4 -","- C92 H116 N8 O4 Pd2 S8 -","2","0.5","SQ3259","Tarafder, M. T. H.; Islam, M. A. A. A. A.; Howlader, M. B. H.; Guidolin, N.; Zangrando, E.","Bis[<i>S</i>-benzyl-3-(4-<i>n</i>-octyloxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>']palladium(II)","Acta Crystallographica Section C","2010","66","12","m363","m365","10.1107/S0108270110044008","","","0.71073","MoKα","","0.0843","0.0364","","","0.0751","0.0828","","","","","","0.77","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017903","7.1523","0.0002","20.0145","0.0005","36.8669","0.0008","90","","90","","90","","5277.5","0.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C288 H192 N16 O16 -","8","1","SU3052","Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","Acta Crystallographica Section C","2010","66","12","o623","o626","10.1107/S0108270110045725","","","0.71073","MoKα","","0.102","0.0522","","","0.1334","0.1556","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017904","10.3121","0.0003","11.1215","0.0003","19.8676","0.0006","91.593","0.002","96.918","0.002","108.463","0.002","2140.25","0.11","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi- 1,3-oxazole","","- C52 H56 N2 O2 -","- C52 H56 N2 O2 -","- C104 H112 N4 O4 -","2","1","SU3052","Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","Acta Crystallographica Section C","2010","66","12","o623","o626","10.1107/S0108270110045725","","","0.71073","MoKα","","0.1165","0.0569","","","0.1439","0.1801","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017905","11.0099","0.0009","12.558","0.001","19.2362","0.0015","90","","99.635","0.002","90","","2622.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~2~-biphenyl-2,4'-dicarboxylate- κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^,<i>O</i>^4'^)[μ~2~-1,4- bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]cadmium(II)] 0.15-hydrate]","","- C28 H22.3 Cd N4 O4.15 -","- C28 H22.3 Cd N4 O4.15 -","- C112 H89.2 Cd4 N16 O16.6 -","4","1","SU3055","Li, Jie; Li, Chuanjiang; Wang, Zi-Liang","Poly[[(μ~2~-biphenyl-2,4'-dicarboxylato)[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene]cadmium(II)] 0.15-hydrate]","Acta Crystallographica Section C","2010","66","12","m384","m386","10.1107/S0108270110045774","","","0.71073","MoKα","","0.114","0.0675","","","0.1233","0.1378","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017906","29.035","0.003","9.766","0.0009","10.5779","0.0012","90","","105.02","0.012","90","","2897","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","isonipecotamide 2-nitrobenzoate","4-carbamoylpiperidinium 2-nitrobenzoate","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C104 H136 N24 O40 -","8","1","SU3056","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2010","66","12","o614","o618","10.1107/S0108270110045750","","","0.71073","MoKα","","0.0551","0.0348","","","0.0819","0.0872","","","","","","0.931","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017907","14.2504","0.0015","6.8276","0.0005","15.458","0.0017","90","","115.41","0.013","90","","1358.5","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipecotamide 3-nitrobenzoate","4-carbamoylpiperidinium 3-nitrobenzoate","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","SU3056","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2010","66","12","o614","o618","10.1107/S0108270110045750","","","0.71073","MoKα","","0.0584","0.0379","","","0.0877","0.0931","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017908","7.5371","0.0006","12.4216","0.0012","15.0911","0.0013","90","","99.848","0.007","90","","1392.1","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipecotamide 4-nitrobenzoate","4-carbamoylpiperidinium 4-nitrobenzoate","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","SU3056","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2010","66","12","o614","o618","10.1107/S0108270110045750","","","0.71073","MoKα","","0.0456","0.0347","","","0.0918","0.0954","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017909","5.7159","0.0005","11.997","0.0012","12.6447","0.001","111.37","0.008","99.504","0.007","100.772","0.008","767.04","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isonipecotamide 3,5-dinitrobenzoate","4-carbamoylpiperidinium 3,5-dinitrobenzoate","","- C13 H16 N4 O7 -","- C13 H16 N4 O7 -","- C26 H32 N8 O14 -","2","1","SU3056","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2010","66","12","o614","o618","10.1107/S0108270110045750","","","0.71073","MoKα","","0.0605","0.0397","","","0.0866","0.0924","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017910","7.697","0.0009","6.9954","0.0008","12.2852","0.0013","90","","98.145","0.005","90","","654.81","0.13","210","2","210","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(7aS,10S,11aR)-12,12-dimethyl-6,6-dioxo-3,4,9,10-tetrahydro-7<i>H</i>- 7a,10-methano- 2<i>H</i>-1,3-oxazino[2,3-<i>i</i>][2,1]benzisothiazol-11(8<i>H</i>)-one","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0395","0.031","","","0.0731","0.0764","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017911","7.3091","0.0008","10.9033","0.0012","15.211","0.0016","90","","90","","90","","1212.2","0.2","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6aS,9S,10R,10aR)-11,11-dimethyl-5,5-dioxo-2,3,7,8,9,10-hexahydro- 6<i>H</i>-6a,9-methanooxazolo[2,3-<i>i</i>][2,1]benziisothiazol-10-ol","","- C12 H19 N O4 S -","- C12 H19 N O4 S -","- C48 H76 N4 O16 S4 -","4","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0365","0.031","","","0.0733","0.0766","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017912","16.5474","0.0018","7.5668","0.0009","11.5945","0.0013","90","","115.376","0.005","90","","1311.7","0.3","210","2","210","2","","","","","","","","5","C 1 2 1","C 2y","5","","(7aS,10S,11R,11aR)-12,12-dimethyl-6,6-dioxo-3,4,8,9,10,11-hexhydro- 7<i>H</i>-7a-methano- 2<i>H</i>-[1,3]oxazino[2,3-<i>i</i>][2,1]benzisothiazol-11-ol","","- C13 H21 N O4 S -","- C13 H21 N O4 S -","- C52 H84 N4 O16 S4 -","4","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0379","0.0317","","","0.0699","0.0726","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017913","6.4612","0.0012","6.7246","0.0013","14.501","0.003","90","","102.151","0.003","90","","615.9","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(4-fluorophenyl)-β-D-mannopyranosylamine","","- C12 H16 F N O5 -","- C12 H16 F N O5 -","- C24 H32 F2 N2 O10 -","2","1","GZ3186","Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.","Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines","Acta Crystallographica Section C","2010","66","12","o565","o570","10.1107/S0108270110043556","","","0.71073","MoKα","","0.0361","0.031","","","0.0726","0.0748","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017914","6.4579","0.0008","6.7248","0.0009","14.5052","0.0019","90","","102.364","0.002","90","","615.32","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(3-fluorophenyl)-β-D-mannopyranosylamine","","- C12 H16 F N O5 -","- C12 H16 F N O5 -","- C24 H32 F2 N2 O10 -","2","1","GZ3186","Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.","Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines","Acta Crystallographica Section C","2010","66","12","o565","o570","10.1107/S0108270110043556","","","0.71073","MoKα","","0.0466","0.0366","","","0.0892","0.0967","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017915","6.4133","0.0006","6.6924","0.0006","28.699","0.003","90","","90","","90","","1231.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-fluorophenyl)-β-D-mannopyranosylamine","","- C12 H16 F N O5 -","- C12 H16 F N O5 -","- C48 H64 F4 N4 O20 -","4","1","GZ3186","Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.","Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines","Acta Crystallographica Section C","2010","66","12","o565","o570","10.1107/S0108270110043556","","","0.71073","MoKα","","0.0376","0.0305","","","0.0687","0.0715","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017916","8.4719","0.0015","23.586","0.003","9.8635","0.0014","90","","103.683","0.006","90","","1915","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[copper(II)-di-μ-acetylacetonato-copper(II)-bis(μ-4- hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)]","","- C19 H19 Cu N3 O5 -","- C19 H19 Cu N3 O5 -","- C76 H76 Cu4 N12 O20 -","4","1","MX3036","Jiang, Li-Fang","<i>catena</i>-Poly[copper(II)-di-μ-acetylacetonato-copper(II)-bis(μ-4-hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)] and (acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazonato)copper(II)","Acta Crystallographica Section C","2010","66","12","m375","m378","10.1107/S0108270110044343","","","0.71073","MoKα","","0.0999","0.0595","","","0.1212","0.1384","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017917","7.4198","0.0015","14.969","0.003","15.885","0.003","90","","91.78","0.03","90","","1763.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazone)copper(II)","","- C19 H19 Cu N3 O4 -","- C19 H19 Cu N3 O4 -","- C76 H76 Cu4 N12 O16 -","4","1","MX3036","Jiang, Li-Fang","<i>catena</i>-Poly[copper(II)-di-μ-acetylacetonato-copper(II)-bis(μ-4-hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)] and (acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazonato)copper(II)","Acta Crystallographica Section C","2010","66","12","m375","m378","10.1107/S0108270110044343","","","0.71073","MoKα","","0.1351","0.0505","","","0.1086","0.154","","","","","","0.906","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017918","5.49","0.005","15.72","0.015","24.82","0.02","90","","90","","90","","2142","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DAPT","<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}- (<i>S</i>)-phenylglycine <i>tert</i>-butyl ester","","- C23 H26 F2 N2 O4 -","- C23 H26 F2 N2 O4 -","- C92 H104 F8 N8 O16 -","4","1","MX3037","Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew","<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}-(<i>S</i>)-phenylglycine <i>tert</i>-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features","Acta Crystallographica Section C","2010","66","12","o585","o588","10.1107/S0108270110044136","","","0.7","synchrotron","","0.0399","0.0395","","","0.1115","0.1124","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017919","5.49","","15.72","","24.82","","90","","90","","90","","2142.03","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F2 N2 O4 -","- C22.512 H26 F1.955 Is27.357 N1.971 O3.892 -","- C90.048 H104 F7.82 Is109.428 N7.884 O15.568 -","4","1","MX3037","Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew","<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}-(<i>S</i>)-phenylglycine <i>tert</i>-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features","Acta Crystallographica Section C","2010","66","12","o585","o588","10.1107/S0108270110044136","","","","","","","","","","","","","","","","","","","","","has coordinates","209312","2020-10-21","18:00:00",""