# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T04:31:20+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Crystal Growth & Design') AND volume = 4 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
"4505259","20.101","0.004","9.511","0.0019","6.67","0.0013","90","","90","","90","","1275.2","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H8 N4 O -","- C11 H8 N4 O -","- C44 H32 N16 O4 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1816","0.0701","","","0.1874","0.2429","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505260","11.12","0.002","25.49","0.005","4.023","0.0008","90","","90","","90","","1140.3","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1637","0.0562","","","0.1318","0.1659","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505261","12.262","0.003","7.108","0.0014","15.749","0.003","90","","111.69","0.03","90","","1275.5","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1026","0.0486","","","0.1287","0.1485","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505262","22.949","0.004","7.2485","0.0012","19.134","0.003","90","","114.885","0.003","90","","2887.3","0.8","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N5 -","- C15 H17 N5 -","- C120 H136 N40 -","8","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.056","0.0511","","","0.1482","0.155","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505264","31.973","0.012","12.074","0.004","8.297","0.003","90","","90","","90","","3203","2","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H19 N5 -","- C17 H19 N5 -","- C136 H152 N40 -","8","2","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1025","0.0579","","","0.112","0.1256","","","","","","0.88","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505265","21.894","0.002","14.2244","0.0015","15.8191","0.0018","90","","128.902","0.002","90","","3833.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Ag2 N6 O8 Si4 -","- C28 H40 Ag2 N6 O8 Si4 -","- C112 H160 Ag8 N24 O32 Si16 -","4","0.5","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.1388","0.0448","","","0.0962","0.1429","","","","","","0.973","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505266","22.638","0.013","14.478","0.008","15.369","0.009","90","","125.024","0.01","90","","4125","4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Ag2 Cl2 N4 O10 Si4 -","- C28 H40 Ag2 Cl2 N4 O10 Si4 -","- C112 H160 Ag8 Cl8 N16 O40 Si16 -","4","0.5","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.1936","0.0746","","","0.1816","0.264","","","","","","1.038","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505267","19.647","0.005","8.933","0.003","25.427","0.005","90","","107.01","0.03","90","","4267","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Ag2 F12 N4 O2 P2 Si4 -","- C28 H40 Ag2 F12 N4 O2 P2 Si4 -","- C112 H160 Ag8 F48 N16 O8 P8 Si16 -","4","0.5","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.0823","0.0771","","","0.2132","0.2193","","","","","","1.216","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505268","8.6214","0.0007","27.421","0.002","9.9035","0.0009","90","","92.446","0.002","90","","2339.1","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Ag F3 N2 O5 S Si2 -","- C16 H20 Ag F3 N2 O5 S Si2 -","- C64 H80 Ag4 F12 N8 O20 S4 Si8 -","4","1","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.123","0.0555","","","0.1481","0.1815","","","","","","0.965","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505269","24.732","0.0004","7.742","0.0001","14.343","0.0003","90","","108.421","0.001","90","","2605.61","0.08","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","1:1 molecular complex of benzoic acid and pentafluorobenzoic acid","1:1 molecular complex of benzoic acid and pentafluorobenzoic acid","","- C14 H7 F5 O4 -","- C14 H7 F5 O4 -","- C112 H56 F40 O32 -","8","2","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.0864","0.0474","","","0.1022","0.1221","","","","","","1.047","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505270","7.3546","0.0003","6.0207","0.0002","14.7507","0.0005","90","","90.568","0.002","90","","653.13","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","1:1 molecular complex of benzamide and pentafluorobenzamide","1:1 molecular complex of benzamide and pentafluorobenzamide","","- C14 H9 F5 N2 O2 -","- C14 H9 F5 N2 O2 -","- C28 H18 F10 N4 O4 -","2","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.0604","0.0412","","","0.0881","0.0987","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505271","11.29","0.002","6.7326","0.0013","18.085","0.004","90","","105.04","0.03","90","","1327.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1:1 molecular complex of benzamide and pentafluorobenzoic acid","1:1 molecular complex of benzamide and pentafluorobenzoic acid","","- C14 H8 F5 N O3 -","- C14 H8 F5 N O3 -","- C56 H32 F20 N4 O12 -","4","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.078","0.0421","","","0.1012","0.1165","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505272","12.749","0.003","6.1977","0.0012","9.5974","0.0019","90","","99.94","0.03","90","","747","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pentafluorobenzamide","pentafluorobenzamide","","- C7 H2 F5 N O -","- C7 H2 F5 N O -","- C28 H8 F20 N4 O4 -","4","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.1869","0.0678","","","0.1366","0.1764","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505273","6.7682","0.0019","27.871","0.008","8.581","0.003","90","","98.4","0.006","90","","1601.3","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ag F6 N4 P S -","- C12 H8 Ag F6 N4 P S -","- C48 H32 Ag4 F24 N16 P4 S4 -","4","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0737","0.0449","","","0.0837","0.0918","","","","","","1.069","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505274","6.92","0.003","28.322","0.014","7.779","0.004","90","","102.234","0.008","90","","1490","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ag Cl N4 O4 S -","- C12 H8 Ag Cl N4 O4 S -","- C48 H32 Ag4 Cl4 N16 O16 S4 -","4","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0666","0.0468","","","0.0894","0.0972","","","","","","0.998","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505275","14.4598","0.0002","15.0176","0.0001","15.0598","0.0002","70.867","0.001","64.275","0.001","76.407","0.001","2766.81","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Ag4 N20 O12 S4 -","- C48 H32 Ag4 N20 O12 S4 -","- C96 H64 Ag8 N40 O24 S8 -","2","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0859","0.0564","","","0.1297","0.1571","","","","","","1.182","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505276","6.4369","0.0019","11.095","0.003","11.422","0.003","81.59","0.005","88.922","0.005","83.274","0.005","801.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H8 Ag F3 N4 O3 S2 -","- C13 H8 Ag F3 N4 O3 S2 -","- C26 H16 Ag2 F6 N8 O6 S4 -","2","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0468","0.0331","","","0.0749","0.0888","","","","","","1.087","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505277","5.536","0.004","16.555","0.008","16.677","0.008","90","","95.475","0.013","90","","1521.4","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Ag F3 N4 O4 S -","- C13 H8 Ag F3 N4 O4 S -","- C52 H32 Ag4 F12 N16 O16 S4 -","4","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.1201","0.0546","","","0.0777","0.0919","","","","","","1.014","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505278","15.611","0.006","13.561","0.006","16.79","0.007","90","","95.629","0.007","90","","3537","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Ag N3 O3 S4 -","- C15 H10 Ag N3 O3 S4 -","- C120 H80 Ag8 N24 O24 S32 -","8","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.0917","0.0588","","","0.1187","0.1304","","","","","","1.128","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505279","11.518","0.003","14.148","0.004","13.899","0.004","90","","112.123","0.004","90","","2098.2","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Ag2 Cl2 N4 O10 S8 -","- C30 H20 Ag2 Cl2 N4 O10 S8 -","- C60 H40 Ag4 Cl4 N8 O20 S16 -","2","0.5","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.0582","0.0417","","","0.1117","0.1242","","","","","","1.015","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505280","9.786","0.004","10.5","0.004","13.263","0.005","98.842","0.008","92.006","0.007","116.65","0.006","1195.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H15 Ag Cl3 N3 O3 S4 -","- C18 H15 Ag Cl3 N3 O3 S4 -","- C36 H30 Ag2 Cl6 N6 O6 S8 -","2","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1112","0.051","","","0.0953","0.1125","","","","","","0.998","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505281","23.239","0.012","6.001","0.003","16.245","0.008","90","","109.009","0.009","90","","2141.9","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag Cl N2 O4 S4 -","- C18 H16 Ag Cl N2 O4 S4 -","- C72 H64 Ag4 Cl4 N8 O16 S16 -","4","0.5","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1009","0.074","","","0.1841","0.2052","","","","","","1.055","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505282","23.233","0.012","6.001","0.003","16.228","0.009","90","","109.078","0.01","90","","2138.3","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag B F4 N2 S4 -","- C18 H16 Ag B F4 N2 S4 -","- C72 H64 Ag4 B4 F16 N8 S16 -","4","0.5","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1293","0.0687","","","0.1529","0.1778","","","","","","1.014","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505283","10.055","0.004","10.369","0.004","14.029","0.006","80.831","0.007","86.92","0.006","65.435","0.006","1313.2","0.9","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H19 Ag Cl3 N3 O3 S4 -","- C20 H19 Ag Cl3 N3 O3 S4 -","- C40 H38 Ag2 Cl6 N6 O6 S8 -","2","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.0755","0.0457","","","0.1124","0.1298","","","","","","1.022","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505284","12.094","0.005","13.077","0.005","16.097","0.006","108.992","0.007","94.586","0.007","107.799","0.007","2246","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 Ag2 Cl2 N4 O8 S8 -","- C38 H36 Ag2 Cl2 N4 O8 S8 -","- C76 H72 Ag4 Cl4 N8 O16 S16 -","2","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1165","0.0597","","","0.148","0.1763","","","","","","1.03","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505285","8.5983","0.0015","13.1561","0.0019","13.46","0.002","90","","92.47","0.005","90","","1521.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H16 Be3 N2 O12 P4 -","- C3 H16 Be3 N2 O12 P4 -","- C12 H64 Be12 N8 O48 P16 -","4","1","","Fu, Wensheng; Wang, Lei; Shi, Zhan; Li, Guanghua; Chen, Xiaobo; Dai, Zhimin; Yang, Lei; Feng, Shouhua","The First Organically Templated Beryllium Phosphite [NH3(CH2)3NH3]·Be3(HPO3)4: Hydrothermal Synthesis and X-ray Crystal Structure","Crystal Growth & Design","2004","4","2","297","","10.1021/cg034116t","","","0.71073","MoKα","","0.035","0.0325","","","0.096","0.0976","","","","","","1.061","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505286","13.537","0.003","9.918","0.001","11.304","0.002","90","","109.31","0.01","90","","1432.3","0.4","297.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C56 H68 N16 O8 -","4","1","","Nagashima, Hideaki; Fujita, Shin'ya; Inoue, Hidenari; Yoshioka, Naoki","Metamagnetic Behavior Observed in Purely Organic 5-Azaindol-2-yl Nitronyl Nitroxide Brick-Wall Architecture","Crystal Growth & Design","2004","4","1","19","","10.1021/cg0341205","","","0.71073","MoKα","","","0.045","","","","0.141","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505287","7.0936","0.0007","8.5462","0.0008","14.1966","0.0014","90","","109.147","0.001","90","","813.03","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Supramolecular complex between cyananilic acid, 2,2'-bipyrimidine and water","","","- C16 H12 N6 O6 -","- C16 H12 N6 O6 -","- C32 H24 N12 O12 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","Supramolecular Grid and Layer Architectures. Hydrogen Bonds and Halogen−Halogen Interactions Influenced by Bromo-, Chloro-, and Cyano-Substituted Anilic Acids","Crystal Growth & Design","2004","4","3","585","","10.1021/cg034134a","","","0.7107","MoKα","","0.0379","0.0294","","","0.0798","0.0832","","","","","","1.072","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505288","25.79","0.002","3.7148","0.0003","17.2252","0.0014","90","","100.081","0.002","90","","1624.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Supramolecular complex between chloranilic acid, 2,2'-bipyrimidine and water","","","- C20 H20 Cl2 N4 O4 -","- C28 H24 Cl4 N8 O12 -","- C56 H48 Cl8 N16 O24 -","2","0.25","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","Supramolecular Grid and Layer Architectures. Hydrogen Bonds and Halogen−Halogen Interactions Influenced by Bromo-, Chloro-, and Cyano-Substituted Anilic Acids","Crystal Growth & Design","2004","4","3","585","","10.1021/cg034134a","","","0.7107","MoKα","","0.0636","0.0387","","","0.0797","0.0867","","","","","","0.951","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505289","19.769","0.0019","3.7834","0.0004","24.983","0.002","90","","93.919","0.002","90","","1864.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Supramolecular complex between bromanilic acid, 2,2'-bipyrimidine and water","","","- C14 H16 Br2 N4 O8 -","- C14 H16 Br2 N4 O8 -","- C56 H64 Br8 N16 O32 -","4","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","Supramolecular Grid and Layer Architectures. Hydrogen Bonds and Halogen−Halogen Interactions Influenced by Bromo-, Chloro-, and Cyano-Substituted Anilic Acids","Crystal Growth & Design","2004","4","3","585","","10.1021/cg034134a","","","0.7107","MoKα","","0.0536","0.0382","","","0.0857","0.0903","","","","","","0.988","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505290","8.2681","0.0008","5.257","0.0003","15.7174","0.0009","90","","99.097","0.008","90","","674.57","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(4-Methylbenzoyl)-a-methylbenzylamine","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.087","0.0465","","","0.0987","0.1158","","","","","","1.011","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505291","12.332","0.001","9.731","0.001","22.926","0.001","90","","90","","90","","2751.2","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(rac)-N-(4-Methylbenzoyl)-a-methylbenzylamine","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0488","0.0336","","","0.0752","0.0866","","","","","","1.11","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505292","8.5535","0.001","9.89","0.0007","33.038","0.003","90","","90","","90","","2794.8","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(4-Nitrobenzoyl)-a-methylbenzylamine","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.1188","0.0613","","","0.1336","0.1599","","","","","","1.061","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505293","11.885","0.0001","5.455","0.0001","40.4438","0.0006","90","","95.367","0.001","90","","2610.58","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0817","0.0448","","","0.0985","0.1141","","","","","","1.024","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505294","9.4413","0.0009","5.9721","0.0007","23.394","0.003","90","","93.67","0.009","90","","1316.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(4-Methylbenzoyl)-a-methylbenzylamine/(S)-N-(4-Nitrobenzoyl)-a- methylbenzylamine","","- C31 H31 N3 O4 -","- C31 H31 N3 O4 -","- C62 H62 N6 O8 -","2","1","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0823","0.0467","","","0.095","0.1222","","","","","","1.038","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505295","10.301","0.003","10.301","0.003","65.44","0.03","90","","90","","120","","6014","4","273","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Zn(besb)3.(ClO4)2","","","- C24 H54 Cl2 O14 S6 Zn -","- C24 H54 Cl2 O14 S6 Zn -","- C144 H324 Cl12 O84 S36 Zn6 -","6","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Novel Noninterpenetrating (3,6) Topological Coordination Networks Assembled from Flexiblemeso-Bis(Sulfinyl) Bridging Ligands","Crystal Growth & Design","2004","4","2","219","","10.1021/cg0341398","","","0.71073","MoKα","","0.1204","0.0714","","","0.2037","0.2358","","","","","","1.013","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505296","10.593","0.002","10.593","0.002","49.319","0.009","90","","90","","120","","4792.7","1.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","Zn(bbsb).(ClO4)2.(CHCl3)","","","- C37 H79 Cl5 O14 S6 Zn -","- C37 H79 Cl5 O14 S6 Zn -","- C111 H237 Cl15 O42 S18 Zn3 -","3","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Novel Noninterpenetrating (3,6) Topological Coordination Networks Assembled from Flexiblemeso-Bis(Sulfinyl) Bridging Ligands","Crystal Growth & Design","2004","4","2","219","","10.1021/cg0341398","","","0.71073","MoKα","","0.1605","0.0754","","","0.1475","0.1765","","","","","","1.016","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505297","10.718","0.002","45.123","0.01","19.208","0.004","90","","101.884","0.004","90","","9090","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C98 H134 Cl4 -","- C98 H134 Cl2.802 -","- C392 H536 Cl11.208 -","4","1","","Khuong, Tinh-Alfredo V.; Zepeda, Gerardo; Ruiz, Rebecca; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Molecular Compasses and Gyroscopes: Engineering Molecular Crystals with Fast Internal Rotation","Crystal Growth & Design","2004","4","1","15","","10.1021/cg034144b","","","0.71073","MoKα","","0.2799","0.1184","","","0.3018","0.3695","","","","","","1.018","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505298","16.632","0.004","10.47","0.002","17.549","0.004","90","","114.53","0.01","90","","2780.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C132 H108 N12 O12 -","4","1","","Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.","An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand","Crystal Growth & Design","2004","4","1","29","","10.1021/cg0341454","","","0.71073","MoKα","","0.1973","0.0906","","0.3204","0.235","","","","1.016","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505299","30.7623","0.0019","8.6307","0.0005","25.0032","0.0015","90","","118.669","0.002","90","","5824.5","0.6","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N3 O3.5 -","- C34 H27 N3 O3.5 -","- C272 H216 N24 O28 -","8","1","","Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.","An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand","Crystal Growth & Design","2004","4","1","29","","10.1021/cg0341454","","","0.71073","MoKα","","0.0911","0.06","","0.1986","0.1747","","","","1.093","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505300","8.739","0.003","17.023","0.006","23.119","0.008","90","","94.077","0.009","90","","3431","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Ag F3 N3 O6.5 S -","- C34 H27 Ag F3 N3 O6.5 S -","- C136 H108 Ag4 F12 N12 O26 S4 -","4","1","","Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.","An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand","Crystal Growth & Design","2004","4","1","29","","10.1021/cg0341454","","","0.71073","MoKα","","0.1532","0.0592","","0.196","0.1417","","","","0.967","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505301","16.898","0.002","11.011","0.001","11.022","0.003","90","","90","","90","","2050.8","0.6","212.5","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H36 O5 -","- C22 H36 O5 -","- C88 H144 O20 -","4","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0","","","","0.0992","","","","","","1.212","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505302","10.834","0.003","15.354","0.006","7.745","0.004","93.77","0.02","109","0.03","79.99","0.02","1199.6","0.9","213.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C50 H84 O13 -","- C50 H76 O13 -","- C50 H76 O13 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.092","","","","0.2259","","","","","","1.207","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505303","11.711","0.001","15.748","0.008","10.514","0.001","101.75","0.02","113.468","0.007","105.05","0.02","1611.2","0.9","211.5","","","","","","","","","","","3","P 1","P 1","1","","","","- C70 H100 O13 -","- C70 H93 O13 -","- C70 H93 O13 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.092","","","","0.2651","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505304","12.3553","0.0008","15.0734","0.0009","10.2995","0.0008","98.553","0.002","99.218","0.003","88.287","0.003","1872.3","0.2","198.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C86 H116 O14 -","- C86 H116 O14 -","- C86 H116 O14 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","1.5418","CuKα","","","0.0647","","","","0.1686","","","","","","2.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505305","12.264","0.002","14.452","0.007","8.178","0.002","90.48","0.03","92.88","0.01","105.19","0.02","1396.7","0.8","288.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C29 H48 O7 -","- C29 H48 O7 -","- C58 H96 O14 -","2","2","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.0515","","","","0.1228","","","","","","1.766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505306","11.5419","0.0005","11.5419","0.0005","69.338","0.004","90","","90","","90","","9236.9","0.8","296.2","","","","","","","","","","","3","P 41","P 4w","76","","","","- C100 H168 O20 -","- C100 H168 O20 -","- C400 H672 O80 -","4","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","1.5418","CuKα","","","0.1715","","","","0.4185","","","","","","4.831","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505307","6.8127","0.0014","8.6378","0.0017","14.336","0.003","104.58","0.03","94.8","0.03","104.5","0.03","780.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis(isonicotinamide)-silver(I)tetraflouroborate","","- C12 H12 Ag B F4 N4 O2 -","- C12 H12 Ag B F4 N4 O2 -","- C24 H24 Ag2 B2 F8 N8 O4 -","2","1","","Bhogala, Balakrishna R.; Thallapally, Praveen K.; Nangia, Ashwini","1:2 and 1:1 Ag(I)-Isonicotinamide Coordination Compounds: Five-Fold Interpenetrated CdSO4Network and the First Example of (Pyridine)N−Ag−O(Amide) Bonds","Crystal Growth & Design","2004","4","2","215","","10.1021/cg034157p","","","0.71073","MoKα","","0.0294","0.0237","","","0.0636","0.0738","","","","","","1.173","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505308","8.118","0.004","12.011","0.013","9.315","0.009","90","","94.91","0.06","90","","904.9","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","isonicotinamide-silver(I)tetraflouroborate","","- C6 H6 Ag B F4 N2 O -","- C6 H6 Ag B F4 N2 O -","- C24 H24 Ag4 B4 F16 N8 O4 -","4","1","","Bhogala, Balakrishna R.; Thallapally, Praveen K.; Nangia, Ashwini","1:2 and 1:1 Ag(I)-Isonicotinamide Coordination Compounds: Five-Fold Interpenetrated CdSO4Network and the First Example of (Pyridine)N−Ag−O(Amide) Bonds","Crystal Growth & Design","2004","4","2","215","","10.1021/cg034157p","","","0.71073","MoKα","","0.0413","0.037","","","0.102","0.1179","","","","","","1.227","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4505309","5.7692","0.0003","7.9733","0.0004","10.1316","0.0005","79.224","0.003","89.598","0.003","81.603","0.003","452.82","0.04","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C18 H28 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0835","0.0511","","","0.1004","0.1103","","","","","","1.032","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505310","6.018","0.0004","9.788","0.0007","9.934","0.0008","108.985","0.004","90.136","0.004","96.233","0.004","549.61","0.07","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C22 H36 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0789","0.0492","","","0.0987","0.1104","","","","","","0.972","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505311","6.925","0.0001","7.7","0.0002","10.473","0.0002","104.648","0.0009","103.713","0.0009","91.751","0.0009","522.456","0.019","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0762","0.043","","","0.0984","0.112","","","","","","1.017","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505312","5.6414","0.0004","10.0737","0.0007","8.6069","0.0006","90","","96.624","0.004","90","","485.86","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H16 N2 O2 -","- C10 H17 N2 O2 -","- C20 H34 N4 O4 -","2","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0715","0.0485","","","0.0992","0.1071","","","","","","1.032","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505313","5.628","0.0001","10.236","0.0002","13.268","0.0003","90","","91.112","0.0009","90","","764.2","0.03","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0468","0.0395","","","0.0982","0.1035","","","","","","1.022","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505314","9.7","0.0003","7.43","0.0002","9.909","0.0004","90","","94.565","0.0013","90","","711.89","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0508","0.0402","","","0.1064","0.1134","","","","","","1.045","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505315","10.535","0.002","9.0614","0.0018","8.4297","0.0017","90","","90","","90","","804.7","0.3","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0608","0.0413","","","0.1076","0.1175","","","","","","1.087","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505316","15.446","0.0006","9.998","0.0008","6.877","0.0014","90","","90","","90","","1062","0.2","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H14 N2 O2 -","- C13 H15 N2 O2 -","- C52 H60 N8 O8 -","4","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.1023","0.0499","","","0.095","0.1112","","","","","","0.976","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505317","11.627","0.0005","9.5935","0.0005","12.1741","0.0005","90","","117.99","0.002","90","","1199.1","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0651","0.0443","","","0.0844","0.0906","","","","","","1.067","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505318","10.525","0.0003","10.602","0.0003","11.552","0.0003","98.285","0.0011","91.303","0.0011","109.832","0.0012","1196.38","0.06","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","2","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.1104","0.0484","","","0.0974","0.1168","","","","","","0.948","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505319","14.023","0.003","10.946","0.003","17.408","0.003","90","","102.47","0.02","90","","2609","1","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H32 Cu F3 N3 O4 -","- C22 H32 Cu F3 N3 O4 -","- C88 H128 Cu4 F12 N12 O16 -","4","2","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0788","0.0502","","","0.1262","0.139","","","","","","0.892","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505320","24.813","0.003","10.982","0.001","19.813","0.003","90","","109.88","0.01","90","","5077.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H29 Cu F3 N3 O4 -","- C21 H29 Cu F3 N3 O4 -","- C168 H232 Cu8 F24 N24 O32 -","8","1","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0827","0.0526","","","0.1242","0.1338","","","","","","0.844","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505321","14.202","0.003","11.245","0.001","16.65","0.002","90","","101.78","0.01","90","","2603","0.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H31 Cu F3 N3 O4 -","- C22 H31 Cu F3 N3 O4 -","- C88 H124 Cu4 F12 N12 O16 -","4","2","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0642","0.0346","","","0.0815","0.0964","","","","","","0.537","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505322","20.969","0.005","22.052","0.005","37.511","0.01","81.838","0.006","76.68","0.006","87.209","0.007","16706","7","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C372 H336 N48 O78 -","- C372 H264 N48 O78 -","- C744 H528 N96 O156 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities","Crystal Growth & Design","2004","4","2","211","","10.1021/cg0341914","","","0.71073","MoKα","","0.163","0.121","","","0.3147","0.3599","","","","","","1.028","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505323","39.852","0.004","38.196","0.004","15.095","0.002","90","","90","","90","","22977","5","90","1","90","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C128 H124 N12 O18 -","- C128 H88 N12 O18 -","- C1024 H704 N96 O144 -","8","1","","Ma, Bao-Qing; Coppens, Philip","Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities","Crystal Growth & Design","2004","4","2","211","","10.1021/cg0341914","","","0.71073","MoKα","","0.3401","0.1465","","","0.3878","0.4787","","","","","","1.171","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505324","8.1657","0.0002","8.6329","0.0002","11.2093","0.0003","75.0558","0.001","85.0939","0.0011","88.4651","0.0015","760.65","0.03","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 Au2 N2 O8 S4 -","- C22 H40 Au2 N2 O8 S4 -","- C22 H40 Au2 N2 O8 S4 -","1","0.5","","Tzeng, Biing-Chiau; Liu, Wei-Hsin; Liao, Ju-Hsiou; Lee, Gene-Hsiang; Peng, Shie-Ming","Self-Assembly of Gold(I) Compounds with (Aza-15-crown-5)dithiocarbamate and 2-Mercapto-4-methyl-5-thiazoleacetic Acid","Crystal Growth & Design","2004","4","3","573","","10.1021/cg034198l","","","0.71073","MoKα","","0.0565","0.0427","","","0.1013","0.1157","","","","","","1.079","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505325","14.3972","0.0009","14.3972","0.0009","26.008","0.003","90","","90","","90","","5390.9","0.8","273","2","273","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C9 H13 Au N2 O3 S2 -","- C9 H13 Au N2 O3 S2 -","- C144 H208 Au16 N32 O48 S32 -","16","1","","Tzeng, Biing-Chiau; Liu, Wei-Hsin; Liao, Ju-Hsiou; Lee, Gene-Hsiang; Peng, Shie-Ming","Self-Assembly of Gold(I) Compounds with (Aza-15-crown-5)dithiocarbamate and 2-Mercapto-4-methyl-5-thiazoleacetic Acid","Crystal Growth & Design","2004","4","3","573","","10.1021/cg034198l","","","0.71073","MoKα","","0.0622","0.036","","","0.0833","0.0892","","","","","","0.896","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505326","6.7305","0.0018","14.029","0.004","6.2309","0.0016","90","","116.368","0.004","90","","527.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","1","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","An Experimental and Theoretical Search for Polymorphs of Barbituric Acid: The Challenges of Even Limited Conformational Flexibility","Crystal Growth & Design","2004","4","5","979","","10.1021/cg034209a","","","0.71073","MoKα","","0.0455","0.0394","","","0.0981","0.1017","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505327","8.0828","0.0011","12.5828","0.0016","9.7644","0.0013","90","","96.15","0.002","90","","987.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C32 H32 N16 O24 -","8","2","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","An Experimental and Theoretical Search for Polymorphs of Barbituric Acid: The Challenges of Even Limited Conformational Flexibility","Crystal Growth & Design","2004","4","5","979","","10.1021/cg034209a","","","0.71073","MoKα","","0.0717","0.056","","","0.1234","0.1301","","","","","","1.099","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505328","8.0309","0.0014","11.98","0.002","7.8139","0.0013","90","","107.038","0.003","90","","718.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","1","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","An Experimental and Theoretical Search for Polymorphs of Barbituric Acid: The Challenges of Even Limited Conformational Flexibility","Crystal Growth & Design","2004","4","5","979","","10.1021/cg034209a","","","0.71073","MoKα","","0.0826","0.0651","","","0.1379","0.147","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505329","12.77","0.001","9.931","0.001","15.56","0.001","90","0.01","107.95","0.01","90","0.01","1877.3","0.3","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","Piperidine anhydrate","4-(2,6-difluoro-4-{(5R)-5-[(3-isoxazolyl]-2-oxo-1,3- oxazolan-3-yl}phenyl)-1,2,3,6-tetrahydropyridinium chloride","","- C18 H18 Cl F2 N3 O4 -","- C18 H18 Cl F2 N3 O4 -","- C72 H72 Cl4 F8 N12 O16 -","4","2","","Black, Simon N.; Cuthbert, Murray W.; Roberts, Ron J.; Stensland, Birgitta","Increased Chemical Purity Using a Hydrate","Crystal Growth & Design","2004","4","3","539","","10.1021/cg034222v","","","0.71073","MoKα","","0.07","0.036","","0.106","0.046","","","","1.817","1.069","1.069","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505330","21.675","0.001","5.897","0.001","16.129","0.001","90","0.01","115.1","0.01","90","0.01","1866.9","0.4","200","","","","","","","","","","","6","C 1 2 1","C 2y","5","Piperidine Hydrate","4-(2,6-difluoro-4-{(5R)-5-[(3-isoxazolyl]-2-oxo-1,3- oxazolan-3-yl}phenyl)-1,2,3,6-tetrahydropyridinium chloride monohydrate","","- C18 H21 Cl F2 N3 O5 -","- C18 H21 Cl F2 N3 O5 -","- C72 H84 Cl4 F8 N12 O20 -","4","1","","Black, Simon N.; Cuthbert, Murray W.; Roberts, Ron J.; Stensland, Birgitta","Increased Chemical Purity Using a Hydrate","Crystal Growth & Design","2004","4","3","539","","10.1021/cg034222v","","","0.71073","MoKα","","0.061","0.041","","0.069","0.059","","","","1.714","1.435","1.435","1.435","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505331","7.1933","0.0018","9.374","0.002","9.9","0.002","87.55","0.004","68.912","0.004","78.787","0.004","610.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H9 Ag3 N2 O8 -","- C5 H9 Ag3 N2 O8 -","- C10 H18 Ag6 N4 O16 -","2","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0531","0.0413","","","0.1014","0.1069","","","","","","0.99","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505332","7.6856","0.0003","7.6856","0.0003","11.9467","0.001","90","","90","","90","","705.67","0.07","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C6 H2 Ag2 N2 O4 -","- C6 H2 Ag2 N2 O4 -","- C24 H8 Ag8 N8 O16 -","4","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0201","0.0197","","","0.0475","0.0476","","","","","","1.086","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505333","7.705","0.002","16.246","0.003","7.291","0.001","90","","115.19","0.03","90","","825.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Ag2 N2 O5 -","- C6 H4 Ag2 N2 O5 -","- C24 H16 Ag8 N8 O20 -","4","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0766","0.0661","","","0.1344","0.1375","","","","","","1.284","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505334","9.6455","0.0005","10.9229","0.0007","11.9761","0.0015","90","","112.932","0.007","90","","1162.04","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.0596","0.0363","","","0.0982","0.1093","","","","","","1.028","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505335","14.295","0.0009","11.766","0.0007","9.813","0.0014","90","0.008","116.214","0.007","90","0.005","1480.7","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.0943","0.0492","","","0.124","0.1448","","","","","","1.067","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505336","7.47","0.001","11.128","0.001","22.552","0.002","85.075","0.007","88.712","0.009","72.509","0.008","1781.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 N4 Na0 O21 S3 -","- C28 H36 N4 O21 S3 -","- C56 H72 N8 O42 S6 -","2","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.1103","0.0573","","","0.1453","0.1699","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505337","21.6736","0.0007","8.7163","0.0003","14.5737","0.0005","90","","90","","90","","2753.17","0.16","161","2","161","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 Ag B11 F11 -","- C21 H19 Ag B11 F11 -","- C84 H76 Ag4 B44 F44 -","4","1","","Ivanov, Sergei V.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structure of Ag(CHPh3)(1-Me-CB11F11). Trigonal-Planar Ag(Arene)3+Cations, Polymeric {Ag(CHPh3)+}∞Triangular-Net Layers, and Partially Aligned Interstitial Carborane Anions in a Polar Crystal","Crystal Growth & Design","2004","4","2","249","","10.1021/cg034230b","","","0.71073","MoKα","","0.1198","0.0709","","","0.1058","0.1211","","","","","","1.078","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505338","16.571","0.003","26.888","0.005","17.525","0.003","90","","90","","90","","7808","2","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C312 H368 Cl16 Mn8 N48 O16 -","- C39 H42 Cl2 Mn N6 O2 -","- C312 H336 Cl16 Mn8 N48 O16 -","8","0.5","","Ghosh, A. K.; Ghoshal, D.; Lu, T.-H.; Mostafa, G.; Chaudhuri, N. Ray","Novel Solid-State Molecular Self-Assemblies of Manganese (II) Constructed with Flexible Ligands: Influences of π−π and C−H···π Interactions on Their Crystal Packing","Crystal Growth & Design","2004","4","4","851","","10.1021/cg034238l","","","0.71073","MoKα","","0.2683","0.0723","","","0.096","0.1292","","","","","","0.856","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505339","10.0367","0.0009","11.7471","0.001","19.6587","0.0017","100.199","0.002","96.287","0.002","93.394","0.002","2260.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Mn N12 O6 S6 -","- C34 H36 Mn N12 O6 S6 -","- C68 H72 Mn2 N24 O12 S12 -","2","1","","Ghosh, A. K.; Ghoshal, D.; Lu, T.-H.; Mostafa, G.; Chaudhuri, N. Ray","Novel Solid-State Molecular Self-Assemblies of Manganese (II) Constructed with Flexible Ligands: Influences of π−π and C−H···π Interactions on Their Crystal Packing","Crystal Growth & Design","2004","4","4","851","","10.1021/cg034238l","","","0.71073","MoKα","","0.1213","0.058","","","0.0929","0.1063","","","","","","0.953","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505340","18.907","0.002","14.565","0.003","21.414","0.004","90","","90","","90","","5897","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Co3 Na O25.5 -","- C18 H32 Co3 Na O25.5 -","- C144 H256 Co24 Na8 O204 -","8","1","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Structural Variability of Cobalt(II) Coordination Polymers: Three Polymorphs of Co3(TMA)2[TMA = Trimesate, C6H3(COO)33-]","Crystal Growth & Design","2004","4","3","599","","10.1021/cg0342415","","","0.71073","MoKα","","0.0562","0.0402","","","0.1017","0.1103","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505341","6.6542","0.0005","10.7114","0.0007","12.3565","0.0007","99.008","0.004","102.553","0.006","107.344","0.007","797.08","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H42 Co3 O30 -","- C18 H42 Co3 O30 -","- C18 H42 Co3 O30 -","1","0.5","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Structural Variability of Cobalt(II) Coordination Polymers: Three Polymorphs of Co3(TMA)2[TMA = Trimesate, C6H3(COO)33-]","Crystal Growth & Design","2004","4","3","599","","10.1021/cg0342415","","","0.71073","MoKα","","0.0386","0.03","","","0.0752","0.0794","","","","","","1.024","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505342","7.9231","0.0012","13.894","0.002","7.9231","0.0012","90","","114.48","","90","","793.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metformin HCl form I","N,N-Dimethylimidodicarbonimidic diamide hydrochloride","","- C4 H12 Cl N5 -","- C4 H12 Cl N5 -","- C16 H48 Cl4 N20 -","4","1","","Childs, Scott L.; Chyall, Leonard J.; Dunlap, Jeanette T.; Coates, David A.; Stahly, Barbara C.; Stahly, G. Patrick","A Metastable Polymorph of Metformin Hydrochloride: Isolation and Characterization Using Capillary Crystallization and Thermal Microscopy Techniques","Crystal Growth & Design","2004","4","3","441","","10.1021/cg034243p","","","0.71073","MoKα","","0.0445","0.0354","","","0.0763","0.0781","","","","","","1.078","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505343","7.6261","0.0007","6.1684","0.0006","18.1508","0.0016","90","","99.447","0.002","90","","842.25","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metformin HCl form II","N,N-Dimethylimidodicarbonimidic diamide hydrochloride","","- C4 H12 Cl N5 -","- C4 H12 Cl N5 -","- C16 H48 Cl4 N20 -","4","1","","Childs, Scott L.; Chyall, Leonard J.; Dunlap, Jeanette T.; Coates, David A.; Stahly, Barbara C.; Stahly, G. Patrick","A Metastable Polymorph of Metformin Hydrochloride: Isolation and Characterization Using Capillary Crystallization and Thermal Microscopy Techniques","Crystal Growth & Design","2004","4","3","441","","10.1021/cg034243p","","","0.71073","MoKα","","0.0745","0.0597","","","0.1321","0.139","","","","","","1.173","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505344","16.0707","0.0015","9.014","0.001","16.252","0.002","90","","90.127","0.008","90","","2354.3","0.4","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C22 H16 Cl2 Hg Mn N6 -","- C22 H16 Cl2 Hg Mn N6 -","- C88 H64 Cl8 Hg4 Mn4 N24 -","4","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0197","","","","0.0252","","","","","","1.0768","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505345","15.998","0.005","8.853","0.003","18.797","0.008","90","","107.42","0.03","90","","2540.1","1.6","293","","293","","","","","","","","?","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H16 Cl2 Hg Mn N6 -","- C26 H16 Cl2 Hg Mn N6 -","- C104 H64 Cl8 Hg4 Mn4 N24 -","4","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","1.5418","CuKα","","","0.0635","","","","0.0643","","","","","","1.4414","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505346","22.521","0.015","8.887","0.007","16.147","0.012","90","","135.47","0.04","90","","2266","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl2 Hg N6 Ni -","- C22 H16 Cl2 Hg N6 Ni -","- C88 H64 Cl8 Hg4 N24 Ni4 -","4","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","1.5418","CuKα","","","0.0473","","","","0.0602","","","","","","1.3465","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505347","8.088","0.002","8.742","0.002","17.763","0.006","90","","97.08","0.02","90","","1246.4","0.6","293","","293","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H16 Cl2 Hg N6 Ni -","- C26 H16 Cl2 Hg N6 Ni -","- C52 H32 Cl4 Hg2 N12 Ni2 -","2","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","1.5418","CuKα","","","0.0366","","","","0.0445","","","","","","0.9995","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505348","7.3434","0.0009","9.51","0.001","13.3533","0.0017","85.57","0.01","82.47","0.01","87.594","0.008","921.25","0.19","293","","293","","","","","","","","?","6","P -1","-P 1","2","","","","- C17 H11 Cl2 Cu Hg N5 -","- C17 H11 Cl2 Cu Hg N5 -","- C34 H22 Cl4 Cu2 Hg2 N10 -","2","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0174","","","","0.0222","","","","","","1.319","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505349","10.339","0.002","10.911","0.002","12.723","0.003","69.811","0.017","77.55","0.02","82.228","0.018","1312.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H32 Cl4 Cu2 Hg3 N14 -","- C54 H32 Cl4 Cu2 Hg3 N14 -","- C54 H32 Cl4 Cu2 Hg3 N14 -","1","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.71073","MoKα","","","0.0306","","","","0.0345","","","","","","1.4479","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505350","15.7274","0.0018","8.6102","0.0008","19.2642","0.0017","90","","97.735","0.008","90","","2584.9","0.4","293","","293","","","","","","","","?","6","A 1 2/a 1","-A 2ya","15","","","","- C6 H13 Cl2 Cu Hg N5 -","- C6 H13 Cl2 Cu Hg N5 -","- C48 H104 Cl16 Cu8 Hg8 N40 -","8","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.71073","MoKα","","","0.022","","","","0.0269","","","","","","1.2321","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505351","7.837","0.002","17.148","0.002","14.423","0.002","90","","95.67","0.02","90","","1928.8","0.6","293","","293","","","","","","","","?","6","P 1 21/a 1","-P 2yab","14","","","","- C9.02 H18 Cl2.98 Cu Hg2 N7.02 -","- C9.023 H18 Cl2.977 Cu Hg2 N7.023 -","- C36.092 H72 Cl11.908 Cu4 Hg8 N28.092 -","4","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0353","","","","0.0329","","","","","","1.4333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505352","22.358","0.003","22.358","","8.1101","0.0013","90","","90","","90","","4054.1","0.8","293","","293","","","","","","","","?","6","P -4 21 c","P -4 2n","114","","","","- C10 H18 Cl2.5 Hg2.25 N8 Ni -","- C40 H72 Cl10 Hg9 N32 Ni4 -","- C80 H144 Cl20 Hg18 N64 Ni8 -","2","0.25","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0461","","","","0.0508","","","","","","4.8799","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505353","13.9104","0.0004","17.0365","0.0002","20.815","0.0005","90","","90","","90","","4932.83","0.19","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)ferrate(II)","","- C25 H18 Fe N9 P -","- C25 H18 Fe N9 P -","- C200 H144 Fe8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.112","0.0537","","","0.0737","0.0852","","","","","","0.993","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505354","13.8718","0.0002","16.9489","0.0002","20.772","0.0003","90","","90","","90","","4883.74","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)cobaltate(II)","","- C25 H18 Co N9 P -","- C25 H18 Co N9 P -","- C200 H144 Co8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0658","0.0387","","","0.0609","0.067","","","","","","1.023","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505355","13.8039","0.0003","16.8679","0.0002","20.7639","0.0006","90","","90","","90","","4834.72","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)nickelate(II)","","- C25 H18 N9 Ni P -","- C25 H18 N9 Ni P -","- C200 H144 N72 Ni8 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.1388","0.0639","","","0.0672","0.079","","","","","","0.978","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505356","14.3759","0.0001","16.9055","0.0001","21.6345","0.0002","90","","90","","90","","5257.87","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)mangenate(II)","","- C26 H20 Mn N9 P -","- C26 H20 Mn N9 P -","- C208 H160 Mn8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0409","0.031","","","0.0639","0.0673","","","","","","1.022","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505357","14.2228","0.0002","16.705","0.0001","21.602","0.0003","90","","90","","90","","5132.46","0.11","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)cobaltate(II)","","- C26 H20 Co N9 P -","- C26 H20 Co N9 P -","- C208 H160 Co8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0856","0.06","","","0.0698","0.0738","","","","","","1.087","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505358","14.1192","0.0001","16.6545","0.0001","21.5833","0.0002","90","","90","","90","","5075.27","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)nickelate(II)","","- C26 H20 N9 Ni P -","- C26 H20 N9 Ni P -","- C208 H160 N72 Ni8 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0672","0.0446","","","0.0636","0.0685","","","","","","1.021","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505359","16.6488","0.001","19.0749","0.0011","21.5917","0.0013","90.344","0.002","105.864","0.002","96.447","0.002","6549.3","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","[60]fullerene ZnTPP TPyP clathrate","[60]fullerene zinc tetraphenylporphyrinate tetra(4-pyridyl)porphyrine clathrate","","- C180.25 H77.75 N13.75 Zn2 -","- C180.25 H77.75 N13.75 Zn2 -","- C360.5 H155.5 N27.5 Zn4 -","2","1","","Konarev, Dmitri V.; Litvinov, Alexey L.; Neretin, Ivan S.; Drichko, Natalia V.; Slovokhotov, Yury L.; Lyubovskaya, Rimma N.; Howard, Judith A. K.; Yufit, D. S.","Formation of Coordination Porphyrin Pentamers in New Supramolecular Complex of Fullerene: {(ZnTPP)4·4-TPyP}·(C60)2·(C6H5CN)3.5","Crystal Growth & Design","2004","4","4","643","","10.1021/cg034259f","","","0.71073","MoKα","","0.2379","0.0842","","0.2666","0.1959","","","","0.868","1.251","1.251","","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505360","5.9262","0.0006","22.095","0.002","19.9471","0.0019","90","","91.569","0.002","90","","2610.9","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O4 S -","- C33 H28 O4 S -","- C132 H112 O16 S4 -","4","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Characterization of Pseudopolymorphs of a Hydroxybenzoic Acid Derivative","Crystal Growth & Design","2004","4","6","1403","","10.1021/cg0496890","","","0.71073","MoKα","","0.0934","0.0642","","","0.1339","0.1454","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505361","15.2949","0.0008","16.3926","0.0008","18.4924","0.001","102.875","0.001","101.539","0.001","109.65","0.001","4061.3","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 O4 S -","- C33 H28 O4 S -","- C198 H168 O24 S6 -","6","3","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Characterization of Pseudopolymorphs of a Hydroxybenzoic Acid Derivative","Crystal Growth & Design","2004","4","6","1403","","10.1021/cg0496890","","","0.71073","MoKα","","0.1213","0.0753","","","0.1895","0.2132","","","","","","1.046","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505362","6.4563","0.0003","14.5436","0.0007","16.4454","0.0008","66.106","0.001","85.282","0.001","77.955","0.001","1380.76","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 N O3 -","- C36 H27 N O3 -","- C72 H54 N2 O6 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Characterization of Pseudopolymorphs of a Hydroxybenzoic Acid Derivative","Crystal Growth & Design","2004","4","6","1403","","10.1021/cg0496890","","","0.71073","MoKα","","0.0769","0.0592","","","0.165","0.1782","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505363","8.753","0.004","8.89","0.004","10.83","0.005","85.44","0.04","69.76","0.03","63.65","0.03","705.8","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C28 H34 N6 S2 -","2","1","","Timofeeva, Tatiana V.; Kinnibrugh, Tiffany; Borbulevych, Oleg Ya.; Averkiev, Boris B.; Nesterov, Vladimir N.; Sloan, Andreanne; Antipin, Mikhail Yu.","Vanishing Polymorphism of (2E)-2-Cyano-3-[4-(Diethylamino)phenyl]prop-2-enethioamide: X-ray Structural Study and Polymorph Prediction","Crystal Growth & Design","2004","4","6","1265","","10.1021/cg0497647","","","0.71073","MoKα","","0.0567","0.0367","","","0.0955","0.1001","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505364","9.167","0.0018","13.023","0.003","12.172","0.002","90","","93.97","0.03","90","","1449.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","","Timofeeva, Tatiana V.; Kinnibrugh, Tiffany; Borbulevych, Oleg Ya.; Averkiev, Boris B.; Nesterov, Vladimir N.; Sloan, Andreanne; Antipin, Mikhail Yu.","Vanishing Polymorphism of (2E)-2-Cyano-3-[4-(Diethylamino)phenyl]prop-2-enethioamide: X-ray Structural Study and Polymorph Prediction","Crystal Growth & Design","2004","4","6","1265","","10.1021/cg0497647","","","0.71073","MoKα","","0.0611","0.0389","","","0.106","0.1196","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505365","39.37","0.008","8.88","0.0018","17.056","0.003","90","","101.19","0.03","90","","5850","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H71 N13 S4 -","- C58 H71 N13 S4 -","- C232 H284 N52 S16 -","4","0.5","","Timofeeva, Tatiana V.; Kinnibrugh, Tiffany; Borbulevych, Oleg Ya.; Averkiev, Boris B.; Nesterov, Vladimir N.; Sloan, Andreanne; Antipin, Mikhail Yu.","Vanishing Polymorphism of (2E)-2-Cyano-3-[4-(Diethylamino)phenyl]prop-2-enethioamide: X-ray Structural Study and Polymorph Prediction","Crystal Growth & Design","2004","4","6","1265","","10.1021/cg0497647","","","0.71073","MoKα","","0.1502","0.0505","","","0.1192","0.1495","","","","","","0.991","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505366","12.684","0.002","12.704","0.004","20.572","0.004","102.71","0.02","103.947","0.015","91.35","0.02","3128.1","1.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C61.5 H57 Cl3 O9 S9 -","- C61.5 H57 Cl3 O9 S9 -","- C123 H114 Cl6 O18 S18 -","2","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.0672","0.0483","","","0.123","0.1353","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505367","14.3192","0.0013","13.4991","0.0012","22.328","0.002","90","","104.081","0.002","90","","4186.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C20.5 H19 Cl O3 S3 -","- C20.5 H19 Cl O3 S3 -","- C164 H152 Cl8 O24 S24 -","8","2","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.1252","0.0559","","","0.1235","0.149","","","","","","0.918","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505368","12.731","0.006","12.762","0.006","25.937","0.012","90","","93.877","0.008","90","","4204","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C41 H38 Cl2 O6 S6 -","- C41 H38 Cl2 O6 S6 -","- C164 H152 Cl8 O24 S24 -","4","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.0966","0.0569","","","0.1289","0.1503","","","","","","1.028","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505369","12.715","0.003","12.723","0.003","13.893","0.003","90","","109.967","0.004","90","","2112.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C20.5 H19 Cl O3 S3 -","- C20.5 H19 Cl O3 S3 -","- C82 H76 Cl4 O12 S12 -","4","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.1127","0.0522","","","0.1036","0.1217","","","","","","0.932","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505370","17.5","0.002","18.465","0.003","14.982","0.002","90","","119.428","0.002","90","","4216.6","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C20.5 H19 Cl O3 S3 -","- C20.5 H19 Cl O3 S3 -","- C164 H152 Cl8 O24 S24 -","8","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.0875","0.0483","","","0.1119","0.1251","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505371","4.6696","0.0004","11.9275","0.001","15.883","0.0014","88.521","0.001","87.475","0.001","80.675","0.001","871.94","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C36 H36 F6 N6 O6 -","2","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0419","0.0379","","","0.1037","0.1069","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505372","9.2526","0.0005","21.0339","0.0011","9.6352","0.0005","90","","101.524","0.001","90","","1837.38","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C72 H72 F12 N12 O12 -","4","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0385","0.0342","","","0.0928","0.0955","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505373","9.4044","0.0005","21.0539","0.0011","9.9067","0.0005","90","","102.969","0.001","90","","1911.48","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C72 H72 F12 N12 O12 -","4","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0875","0.0651","","","0.1976","0.2138","","","","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505374","4.8343","0.0009","11.984","0.002","16.206","0.003","89.447","0.003","88.427","0.003","81.715","0.003","928.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C36 H36 F6 N6 O6 -","2","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0771","0.0586","","","0.1783","0.1912","","","","","","1.059","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505375","10.8118","0.0002","6.3556","0.0001","32.0901","0.0007","90","","99.259","0.002","90","","2176.36","0.07","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 O4 -","- C25 H30 O4 -","- C100 H120 O16 -","4","1","","Kumar, V. S. Senthil; Sheela, K. C.; Nair, Vijay; Rath, Nigam P.","Concomitant Polymorphism in a Spirobicyclic Dione","Crystal Growth & Design","2004","4","6","1245","","10.1021/cg0497748","","","0.71073","MoKα","","0.0774","0.0496","","","0.1137","0.1266","","","","","","1.03","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505376","14.7437","0.0002","9.6022","0.0001","15.4922","0.0002","90","","92.317","0.001","90","","2191.47","0.05","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 O4 -","- C25 H30 O4 -","- C100 H120 O16 -","4","1","","Kumar, V. S. Senthil; Sheela, K. C.; Nair, Vijay; Rath, Nigam P.","Concomitant Polymorphism in a Spirobicyclic Dione","Crystal Growth & Design","2004","4","6","1245","","10.1021/cg0497748","","","0.71073","MoKα","","0.0917","0.0498","","","0.1003","0.1155","","","","","","1.02","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505377","7.237","0.003","8.2557","0.0017","9.78","0.003","90","","111.03","0.02","90","","545.4","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Copperpyroarsenate","Copper(II) diarsenate(V)","","- As2 Cu2 O7 -","- As2 Cu2 O7 -","- As8 Cu8 O28 -","4","0.5","","Weil, Matthias; Lengauer, Christian; Füglein, Ekkehard; Baran, Enrique J.","The Reversible α →β Phase Transition of Cu2As2O7","Crystal Growth & Design","2004","4","6","1229","","10.1021/cg049782o","","","0.71073","MoKα","","0.0287","0.0278","","","0.0749","0.0755","","","","","","1.169","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505378","7.0987","0.0003","8.2777","0.0004","4.8666","0.0002","90","","110.206","0.004","90","","268.37","0.02","673","5","673","5","","","","","","","","3","C 1 2/m 1","-C 2y","12","beta-copper arsenate","beta-copper(II) pyroarsenate","","- As2 Cu2 O7 -","- As2 Cu2 O7 -","- As4 Cu4 O14 -","2","0.25","","Weil, Matthias; Lengauer, Christian; Füglein, Ekkehard; Baran, Enrique J.","The Reversible α →β Phase Transition of Cu2As2O7","Crystal Growth & Design","2004","4","6","1229","","10.1021/cg049782o","powder diffraction","","1.54056","CuKα","","","","","","","","","0.106","","","","","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505379","8.849","0.003","11.27","0.004","14.816","0.005","90.586","0.019","84.037","0.019","70.934","0.018","1387.4","0.8","165","2","165","2","","","","","","","","5","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C32 H21 N3 O4 S -","- C32 H21 N3 O4 S -","- C64 H42 N6 O8 S2 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.1319","0.0878","","","0.2328","0.2568","","","","","","1.05","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505380","8.7066","0.0004","11.2103","0.0005","14.6563","0.0007","89.465","0.002","85.759","0.002","72.136","0.002","1357.68","0.11","165","2","165","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C33 H21 N3 O4 -","- C33 H21 N3 O4 -","- C66 H42 N6 O8 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.0913","0.0592","","","0.1593","0.1718","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505381","8.9408","0.0003","11.3356","0.0004","14.3226","0.0006","89.952","0.002","78.573","0.002","71.502","0.002","1346.3","0.09","143","2","143","2","","","","","","","","5","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C33 H20 Cl N3 O5 -","- C33 H20 Cl N3 O5 -","- C66 H40 Cl2 N6 O10 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.1021","0.0609","","","0.1173","0.1321","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505382","11.397","0.0002","15.4588","0.0003","15.8555","0.0003","73.867","0.001","82.203","0.001","88.405","0.001","2658.52","0.09","143","2","143","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C32 H20 N4 O5 -","- C32 H20 N4 O5 -","- C128 H80 N16 O20 -","4","2","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.1004","0.0595","","","0.1585","0.183","","","","","","1.061","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505383","6.174","0.002","23.497","0.008","12.868","0.004","90","","96.483","0.006","90","","1854.8","1","187","2","187","2","","","","","","","","3","C 1 c 1","C -2yc","9","acridine","acridine","","- C13 H9 N -","- C13 H9 N -","- C104 H72 N8 -","8","2","","Mei, Xuefeng; Wolf, Christian","Formation of New Polymorphs of Acridine Using Dicarboxylic Acids as Crystallization Templates in Solution","Crystal Growth & Design","2004","4","6","1099","","10.1021/cg0498655","","","0.71073","MoKα","","0.1272","0.0403","","","0.0757","0.086","","","","","","0.684","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505384","6.0569","0.001","22.813","0.004","13.204","0.002","90","","95.938","0.004","90","","1814.7","0.5","185","2","185","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","acridine","acridine","","- C13 H9 N -","- C13 H9 N -","- C104 H72 N8 -","8","2","","Mei, Xuefeng; Wolf, Christian","Formation of New Polymorphs of Acridine Using Dicarboxylic Acids as Crystallization Templates in Solution","Crystal Growth & Design","2004","4","6","1099","","10.1021/cg0498655","","","0.71073","MoKα","","0.1094","0.0572","","","0.1325","0.1479","","","","","","1.024","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505385","6.1082","0.0004","19.6249","0.0014","8.9246","0.0006","90","","90.184","0.002","90","","1069.81","0.13","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 N S -","- C5 H5 N S -","- C40 H40 N8 S8 -","8","2","","Muthu, Sebastian; Vittal, Jagadese J.","A New Polymorph of 4-Pyridinethione Containing a Helical Assembly Based on N−H···S Hydrogen Bonds","Crystal Growth & Design","2004","4","6","1181","","10.1021/cg0498812","","","0.71073","MoKα","","0.0464","0.0393","","","0.1021","0.1076","","","","","","1.052","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505386","7.2281","0.0008","6.1499","0.0007","11.6316","0.0013","90","","90.449","0.002","90","","517.03","0.1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N S -","- C5 H5 N S -","- C20 H20 N4 S4 -","4","1","","Muthu, Sebastian; Vittal, Jagadese J.","A New Polymorph of 4-Pyridinethione Containing a Helical Assembly Based on N−H···S Hydrogen Bonds","Crystal Growth & Design","2004","4","6","1181","","10.1021/cg0498812","","","0.71073","MoKα","","0.0753","0.0625","","","0.1441","0.1716","","","","","","1.111","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505387","9.3896","0.0007","6.9093","0.001","19.3766","0.0016","90","","90.951","0.008","90","","1256.9","0.2","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 N6 O4 Zn -","- C8 H12 N6 O4 Zn -","- C32 H48 N24 O16 Zn4 -","4","1","","Escorihuela, Inmaculada; Falvello, Larry R.; Tomás, Milagros; Urriolabeitia, Esteban P.","Influence of Noncovalent Interactions on Uracil Tautomer Selection: Coordination of Both N1 and N3 Uracilate to the Same Metal in the Solid State","Crystal Growth & Design","2004","4","4","655","","10.1021/cg0499111","","","0.71073","MoKα","","0.0684","0.0428","","","0.0904","0.1014","","","","","","1.02","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505388","9.232","0.006","8.9","0.006","15.102","0.009","90","","96.081","0.011","90","","1233.9","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(2-chlorophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 Cl N3 O2 S -","- C11 H10 Cl N3 O2 S -","- C44 H40 Cl4 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1013","0.0574","","","0.1343","0.1553","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505389","9.169","0.002","8.867","0.002","15.222","0.004","90","","96.511","0.005","90","","1229.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(2-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0819","0.0558","","","0.13","0.1451","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505390","12.434","0.004","10.396","0.004","9.113","0.003","90","","92.247","0.006","90","","1177.1","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(3-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0969","0.0596","","","0.1391","0.1563","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505391","9","0.006","8.618","0.006","14.643","0.01","90","","91.698","0.017","90","","1135.2","1.3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-fluorophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 F N3 O2 S -","- C11 H10 F N3 O2 S -","- C44 H40 F4 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1616","0.1082","","","0.255","0.3162","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505392","13.725","0.006","7.312","0.003","25.419","0.011","90","","92.886","0.008","90","","2547.7","1.9","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","6-amino-2-(4-chlorophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 Cl N3 O2 S -","- C11 H10 Cl N3 O2 S -","- C88 H80 Cl8 N24 O16 S8 -","8","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1132","0.07","","","0.1597","0.1802","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505393","10.7951","0.0009","18.2559","0.0015","26.335","0.002","90","","94.33","0.002","90","","5175.1","0.7","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-bromophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 Br N3 O2 S -","- C11 H10 Br N3 O2 S -","- C176 H160 Br16 N48 O32 S16 -","16","4","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1261","0.0656","","","0.1555","0.1848","","","","","","1.036","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505394","10.755","0.002","18.3","0.003","26.828","0.005","90","","90","","90","","5280.2","1.6","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-amino-2-(4-iodophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 I N3 O2 S -","- C11 H10 I N3 O2 S -","- C176 H160 I16 N48 O32 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0713","0.0433","","","0.1","0.1245","","","","","","1.082","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505395","15.015","0.006","10.88","0.005","17.066","0.007","90","","113.457","0.008","90","","2557.6","1.9","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-amino-2-(4-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C96 H104 N24 O16 S8 -","8","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1243","0.0565","","","0.1296","0.1688","","","","","","1.003","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505396","10.834","0.003","17.749","0.004","26.473","0.007","90","","94.531","0.007","90","","5075","2","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C192 H208 N48 O32 S16 -","16","4","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1747","0.0737","","","0.1813","0.2601","","","","","","0.899","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505397","10.8897","0.0013","18.343","0.002","26.64","0.003","90","","90","","90","","5321.3","1","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-amino-2-[4-(trifluoromethyl)phenylsulfonylimino]-1,2-dihydropyridine","","- C12 H10 F3 N3 O2 S -","- C12 H10 F3 N3 O2 S -","- C192 H160 F48 N48 O32 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0822","0.0589","","","0.1342","0.1481","","","","","","1.051","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505398","10.614","0.003","18.276","0.005","27.402","0.007","90","","90","","90","","5315","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-amino-2-(4-methoxyphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C192 H208 N48 O48 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1106","0.1024","","","0.2517","0.256","","","","","","1.118","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505399","14.663","0.016","12.276","0.016","7.589","0.011","90","","96.16","0.09","90","","1358","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-nitrophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H12 N4 O5 S -","- C11 H12 N4 O5 S -","- C44 H48 N16 O20 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1054","0.0781","","","0.2024","0.2323","","","","","","1.05","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505400","11.4815","0.0005","26.0534","0.0016","7.1885","0.0004","90","","90","","90","","2150.3","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-[(E)-2-(4-aminophenyl)-1-ethenyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Bhogala, Balakrishna R.; Vangala, Venu R.; Smith, Philip S.; Howard, Judith A. K.; Desiraju, Gautam R.","A Novel Saturated Hydrogen Bridge Architecture in Supraminols","Crystal Growth & Design","2004","4","4","647","","10.1021/cg049916y","","","0.71073","MoKα","","0.0809","0.0416","","","0.0838","0.0952","","","","","","0.906","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505401","7.6679","0.0002","26.1975","0.0006","11.1698","0.0002","90","","90","","90","","2243.79","0.09","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(4-aminophenethyl)phenol","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","2","","Bhogala, Balakrishna R.; Vangala, Venu R.; Smith, Philip S.; Howard, Judith A. K.; Desiraju, Gautam R.","A Novel Saturated Hydrogen Bridge Architecture in Supraminols","Crystal Growth & Design","2004","4","4","647","","10.1021/cg049916y","","","0.71073","MoKα","","0.0607","0.0398","","","0.0796","0.0861","","","","","","0.929","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505402","22.407","0.007","6.061","0.002","27.148","0.009","90","","91.107","0.005","90","","3686","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","02095","","","- C22 H23 N2 O2 -","- C22 H23 N2 O2 -","- C176 H184 N16 O16 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0888","0.0651","","","0.1491","0.1571","","","","","","1.177","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4505403","25.263","0.005","5.6455","0.0011","27.459","0.005","90","","99.117","0.004","90","","3866.8","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","02102","","","- C19.5 H20 Cl2 N2 O2 -","- C19.5 H20 Cl2 N2 O2 -","- C156 H160 Cl16 N16 O16 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0851","0.0452","","","0.1003","0.12","","","","","","1.012","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4505404","22.567","0.002","6.0016","0.0006","27.224","0.003","90","","93.444","0.002","90","","3680.5","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","02114a","phenylbutazone dioxane solvate","","- C21 H24 N2 O3 -","- C21 H23 N2 O3 -","- C168 H184 N16 O24 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.068","0.0569","","","0.1558","0.1643","","","","","","1.038","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505405","22.614","0.002","5.9811","0.0006","27.193","0.003","90","","93.819","0.002","90","","3669.9","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Phenylbutazone tetrahydrofuran solvate","","","- C21 H24 N2 O2.5 -","- C21 H24 N2 O2.5 -","- C168 H192 N16 O20 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0816","0.059","","","0.1309","0.1421","","","","","","1.046","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505406","25.653","0.003","5.6091","0.0007","27.551","0.004","90","","98.621","0.002","90","","3919.5","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phenylbutazone cyclohexane solvate","","","- C22 H26 N2 O2 -","- C22.0006 H26.0012 N2 O2 -","- C176.005 H208.01 N16 O16 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0773","0.0567","","","0.1347","0.1463","","","","","","1.014","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505407","31.682","0.009","10.403","0.005","16.961","0.008","90","","112.5","0.03","90","","5165","4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H17.5 Br2 Cl4.5 N2 -","- C24.5 H17.5 Br2 Cl4.5 N2 -","- C196 H140 Br16 Cl36 N16 -","8","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.049","","","","0.062","","","","","","1.45","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505408","10.222","0.007","10.354","0.007","10.498","0.008","102.68","0.02","93.93","0.03","117.32","0.03","944.5","1.2","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Br2 N2 -","- C23 H16 Br2 N2 -","- C46 H32 Br4 N4 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.038","","","","0.049","","","","","","1.69","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505409","23.182","0.007","5.675","0.002","12.504","0.004","90","","92.47","0.02","90","","1643.5","0.9","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","0.5","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.036","","","","0.055","","","","","","1.42","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505410","16.858","0.006","10.669","0.002","16.771","0.006","90","","120.41","0.01","90","","2601.4","1.4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Br2 Cl4 N2 -","- C25 H22 Br2 Cl4 N2 -","- C100 H88 Br8 Cl16 N8 -","4","0.5","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.056","","","","0.059","","","","","","1.71","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505411","7.496","0.004","9.653","0.006","12.002","0.007","85.74","0.009","86.097","0.009","81.728","0.009","855.6","0.9","90","0.2","90","0.2","","","","","","","see text","3","P -1","-P 1","2","3-acetylcoumarin","3-acetylcoumarin","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","2","","Munshi, Parthapratim; Venugopala, K. N.; Jayashree, B. S.; Guru Row, Tayur N.","Concomitant Polymorphism in 3-Acetylcoumarin: Role of Weak C−H···O and C−H···π Interactions","Crystal Growth & Design","2004","4","6","1105","","10.1021/cg049948l","","","0.71073","MoKα","","0.037","0.0353","","","0.1025","0.1043","","","","","","1.071","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505412","11.325","0.007","3.987","0.002","18.773","0.011","90","","90.425","0.01","90","","847.6","0.8","90","0.2","90","0.2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","3-acetylcoumarin","3-acetylcoumarin","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Munshi, Parthapratim; Venugopala, K. N.; Jayashree, B. S.; Guru Row, Tayur N.","Concomitant Polymorphism in 3-Acetylcoumarin: Role of Weak C−H···O and C−H···π Interactions","Crystal Growth & Design","2004","4","6","1105","","10.1021/cg049948l","","","0.71073","MoKα","","0.0579","0.0449","","","0.1168","0.1248","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505413","13.7982","0.0003","13.0362","0.0002","9.2955","0.0002","90","","90","","90","","1672.04","0.06","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H14 Co N10 O -","- C14 H14 Co N10 O -","- C56 H56 Co4 N40 O4 -","4","0.5","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0413","0.0342","","","0.0937","0.0976","","","","","","1.046","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505414","13.6754","0.0006","13.0449","0.0004","9.2508","0.0004","90","","90","","90","","1650.29","0.11","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H14 N10 Ni O -","- C14 H12 N10 Ni O -","- C56 H48 N40 Ni4 O4 -","4","0.5","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0531","0.0411","","","0.107","0.1127","","","","","","1.104","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505415","14.7318","0.0009","20.7684","0.0013","7.5127","0.0003","90","","90","","90","","2298.6","0.2","123","2","123","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C36 H30 Mn3 N28 -","- C36 H22 Mn3 N28 -","- C72 H44 Mn6 N56 -","2","0.25","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.1423","0.0848","","","0.1442","0.1626","","","","","","1.069","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505416","29.4481","0.0009","12.3608","0.0004","12.3821","0.0003","90","","90","","90","","4507.1","0.2","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 Mn2 N14 O3 -","- C16 H12 Mn2 N14 O3 -","- C128 H96 Mn16 N112 O24 -","8","1","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0815","0.0598","","","0.1253","0.131","","","","","","1.262","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505417","9.9541","0.0014","11.5239","0.0016","14.3145","0.0014","82.333","0.005","74.456","0.004","80.836","0.003","1554.6","0.3","90","1","90","1","","","","","","","","4","P 1","P 1","1","","","","- C75 H70 N6 O11 -","- C75 H70 N6 O11 -","- C75 H70 N6 O11 -","1","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.122","0.0532","","","0.0956","0.1149","","","","","","0.839","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505418","10.0723","0.0002","13.735","0.0003","17.3384","0.0004","75.975","0.001","79.797","0.001","68.858","0.001","2159.81","0.08","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 N2 O10 -","- C55 H50 N2 O10 -","- C110 H100 N4 O20 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.0806","0.0574","","","0.1597","0.1732","","","","","","1.053","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505419","13.351","0.005","14.049","0.005","16.71","0.005","99.954","0.013","93.399","0.012","100.875","0.013","3017.9","1.8","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C69 H61 N4 O9 -","- C69 H61 N4 O9 -","- C138 H122 N8 O18 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.2315","0.1163","","","0.2831","0.4017","","","","","","1.015","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505420","13.81","0.006","14.509","0.005","15.157","0.006","89.123","0.011","73.006","0.014","81.958","0.012","2875","2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C69 H62 N8 O9 -","- C69 H62 N8 O9 -","- C138 H124 N16 O18 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1859","0.083","","","0.1835","0.237","","","","","","1.029","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505421","26.4564","0.0018","15.23","0.002","17.4736","0.0016","90","","114.671","0.004","90","","6398","1.1","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H76 N8 O10 -","- C75 H60 N8 O10 -","- C300 H240 N32 O40 -","4","0.5","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1104","0.081","","","0.2347","0.2675","","","","","","1.048","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505422","22.824","0.003","25.799","0.003","36.354","0.005","90","","90","","90","","21407","5","90","1","90","1","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C65 H58 N4 O9 -","- C65 H48 N4 O9 -","- C1040 H768 N64 O144 -","16","0.5","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1709","0.0863","","","0.2177","0.2559","","","","","","0.982","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505423","43.736","0.012","12.632","0.004","28.391","0.005","90","","129.094","0.009","90","","12174","6","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C74 H70 N5 O9 -","- C74 H70 N5 O9 -","- C592 H560 N40 O72 -","8","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.2081","0.1063","","","0.1995","0.2488","","","","","","1.017","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505424","11.7974","0.0018","15.869","0.002","31.374","0.005","104.51","0.007","97.062","0.007","96.513","0.007","5579.2","1.4","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C135 H136 N8 O18 -","- C135 H130 N8 O18 -","- C270 H260 N16 O36 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1943","0.0867","","","0.2148","0.2765","","","","","","0.93","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505425","15.0768","0.0016","15.1379","0.0017","16.7478","0.0014","108.354","0.003","98.491","0.004","91.692","0.003","3576.4","0.6","90","1","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H80 N8 O10 -","- C86 H80 N8 O10 -","- C172 H160 N16 O20 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1725","0.0548","","","0.0985","0.132","","","","","","0.864","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505426","15.8791","0.001","15.9052","0.0012","15.9729","0.0009","99.649","0.003","107.176","0.003","90.599","0.003","3792","0.4","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C90 H88 N8 O10 -","- C90 H73 N8 O10 -","- C180 H146 N16 O20 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1576","0.0622","","","0.1298","0.1614","","","","","","0.872","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505427","5.6526","0.0011","5.8755","0.001","8.049","0.002","92.912","0.013","106.965","0.018","116.022","0.019","224.74","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","cαα","3,3,6,6-Tetramethyl-piperazine-2,5-dione","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","1","0.5","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0515","0.0461","","","0.1295","0.1367","","","","","","1.096","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505428","5.921","0.002","8.057","0.003","11.136","0.004","70.92","0.03","87.63","0.03","83.82","0.03","499.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","cαβ","3,3-Dimethyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0512","0.0494","","","0.1508","0.159","","","","","","0.79","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505429","8.5431","0.0014","8.908","0.002","12.0833","0.0018","73.705","0.017","89.232","0.013","67.14","0.02","808.5","0.3","571","2","571","2","","","","","","","","4","P -1","-P 1","2","cββ.DMF","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, N,N'-dimethylformamide solvate","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0712","0.0556","","","0.1522","0.1732","","","","","","1.049","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505430","8.6356","0.0001","8.6643","0.0001","11.5906","0.0001","86.968","0.001","75.51","0.001","63.216","0.001","747.757","0.016","150","2","150","2","","","","","","","","4","P -1","-P 1","2","cββ.EtOH","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, Ethanol solvate","","- C16 H16 N2 O3 -","- C16 H13 N2 O3 -","- C32 H26 N4 O6 -","2","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0524","0.0457","","","0.1209","0.1245","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505431","10.7217","0.0001","10.8998","0.0001","27.6353","0.0002","90","","90","","90","","3229.58","0.05","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cββ.Py","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, Pyridine Solvate","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C152 H120 N24 O16 -","8","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0433","0.0381","","","0.0945","0.0977","","","","","","1.066","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505432","7.6004","0.0001","15.4465","0.0002","23.9689","0.0001","90","","90","","90","","2813.94","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cu2 N2 O9 -","- C24 H36 Cu2 N2 O9 -","- C96 H144 Cu8 N8 O36 -","4","1","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0898","0.059","","","0.1069","0.1176","","","","","","1.074","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505433","11.0032","0.0004","7.6246","0.0003","16.1711","0.0004","90","","91.969","0.001","90","","1355.87","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 Cu2 N2 O9 -","- C24 H36 Cu2 N2 O9 -","- C48 H72 Cu4 N4 O18 -","2","1","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0548","0.04","","","0.069","0.0741","","","","","","1.017","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505434","12.8243","0.0001","18.216","0.0002","14.2213","0.0002","90","","115.595","0.001","90","","2996.19","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.5 H36 Cu2 N2 O7.5 -","- C25.5 H36 Cu2 N2 O7.5 -","- C102 H144 Cu8 N8 O30 -","4","2","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0523","0.0482","","","0.134","0.1383","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505435","12.8761","0.0002","18.0335","0.0003","14.2517","0.0002","90","","115.237","0.001","90","","2993.4","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H84 Cu4 N4 O16 -","- C28 H42 Cu2 N2 O8 -","- C112 H168 Cu8 N8 O32 -","4","2","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0666","0.0497","","","0.1211","0.1307","","","","","","1.034","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505436","11.8182","0.0006","8.2857","0.0004","13.0625","0.0006","90","","116.564","0.001","90","","1144.08","0.1","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H20 Co N6 O8 -","- C22 H20 Co N6 O8 -","- C44 H40 Co2 N12 O16 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.026","0.0253","","","0.074","0.0744","","","","","","1.014","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505437","11.8819","0.0004","8.2462","0.0003","13.0763","0.0005","90","","116.905","0.001","90","","1142.54","0.07","90","2","90","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C44 H40 Cu Mn N12 O16 -","- C44 H40 Cu2 N12 O16 -","- C44 H40 Cu2 N12 O16 -","1","0.25","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0311","0.0292","","","0.0942","0.0959","","","","","","1.061","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505438","11.826","0.0005","8.2955","0.0003","13.0456","0.0005","90","","116.691","0.001","90","","1143.43","0.08","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H20 N6 Ni O8 -","- C22 H20 N6 Ni O8 -","- C44 H40 N12 Ni2 O16 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0253","0.0242","","","0.0717","0.0724","","","","","","1.051","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505439","11.8449","0.0004","8.276","0.0003","13.0727","0.0005","90","","116.7","0.001","90","","1144.85","0.07","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H20 N6 O8 Zn -","- C22 H20 N6 O8 Zn -","- C44 H40 N12 O16 Zn2 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0374","0.0295","","","0.0755","0.0799","","","","","","1.041","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505440","13.0714","0.0007","8.244","0.0003","11.9058","0.0005","90","","117.196","0.001","90","","1141.14","0.09","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Bis(imidazolium 2,6-dicaroboxypyridine) Cu(II)","","- C22 H20 Cu N6 O8 -","- C22 H20 Cu N6 O8 -","- C44 H40 Cu2 N12 O16 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0256","0.0243","","","0.0755","0.0764","","","","","","1.078","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505441","8.0838","0.0009","8.9765","0.001","9.9412","0.0011","101.214","0.002","105.716","0.002","93.07","0.002","676.83","0.13","298","2","298","2","","","","","","","","3","P -1","-P 1","2","E,E-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene","E,E-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene","","- C30 H34 O8 -","- C30 H34 O8 -","- C30 H34 O8 -","1","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.0693","0.0536","","","0.1328","0.1423","","","","","","1.04","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505442","7.572","0.005","9.033","0.005","11.729","0.005","101.57","0.005","98.29","0.005","91.04","0.005","776.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","246iprOMT","1,4-bis[2-(246-trimethoxyphenyl)ethenyl]-2,5-diisopropoxybenzene","","- C34 H42 O8 -","- C34 H42 O8 -","- C34 H42 O8 -","1","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.1731","0.0606","","","0.1518","0.1822","","","","","","1.039","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505443","8.174","0.002","15.302","0.004","16.32","0.004","90","","115.947","0.018","90","","1835.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","246hexOMT","1,4-bis(2,4,6-trimethoxyphenylethenyl)-2,5-dihexoxybenzene","","- C40 H54 O8 -","- C40 H54 O8 -","- C80 H108 O16 -","2","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.2274","0.0588","","","0.158","0.2057","","","","","","0.994","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505444","6.897","0.002","9.628","0.002","14.066","0.002","88.79","0.02","79.84","0.02","87.72","0.02","918.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","phe246OMT","1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-3,5bis(2-phenylethoxy)benzene","","- C44 H46 O8 -","- C44 H46 O8 -","- C44 H46 O8 -","1","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.2316","0.0822","","","0.2014","0.2659","","","","","","0.969","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4511620","8.3808","0.0007","10.8134","0.0009","11.15","0.0009","75.083","0.002","88.217","0.002","87.818","0.002","975.47","0.14","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O9 -","- C19 H24 O9 -","- C38 H48 O18 -","2","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.0692","0.0521","","","0.1167","0.1227","","","","","","1.046","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511621","12.428","0.002","18.546","0.003","7.5612","0.0012","90","","115","0.003","90","","1579.5","0.4","223","2","223","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.0983","0.0529","","","0.0774","0.0867","","","","","","1.01","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511622","5.1773","0.0007","15.729","0.002","9.0925","0.0012","90","","101.548","0.003","90","","725.45","0.17","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.1146","0.0596","","","0.1224","0.1751","","","","","","1.06","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511623","24.172","0.008","24.212","0.008","33.226","0.011","91.724","0.006","91.854","0.006","107.513","0.006","18518","11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C251 H140 Cu24 N3 O162 -","- C251 H140 Cu24 N3 O162 -","- C502 H280 Cu48 N6 O324 -","2","1","","McManus, Gregory J.; Wang, Zhenqiang; Zaworotko, Michael J.","Suprasupermolecular Chemistry: Infinite Networks from Nanoscale Metal−Organic Building Blocks†","Crystal Growth & Design","2004","4","1","11","","10.1021/cg034199d","","","0.71073","MoKα","","0.3285","0.166","","","0.3744","0.4806","","","","","","1.009","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511624","30.4712","0.0011","46.5263","0.0017","30.4916","0.0011","90","","98.478","0.001","90","","42756","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C298 H121 Cu17 N25 O137 S12 -","- C596 H242 Cu34 N50 O274 S24 -","- C1192 H484 Cu68 N100 O548 S48 -","2","0.5","","McManus, Gregory J.; Wang, Zhenqiang; Zaworotko, Michael J.","Suprasupermolecular Chemistry: Infinite Networks from Nanoscale Metal−Organic Building Blocks†","Crystal Growth & Design","2004","4","1","11","","10.1021/cg034199d","","","0.71073","MoKα","","0.2117","0.1829","","","0.4509","0.4675","","","","","","1.118","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511625","8.3595","0.0002","11.3634","0.0003","16.3161","0.0005","90","","102.265","0.002","90","","1514.53","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O7 Zn2 -","- C13 H14 N2 O7 Zn2 -","- C52 H56 N8 O28 Zn8 -","4","1","","Shi, Zhan; Li, Guanghua; Wang, Lei; Gao, Lu; Chen, Xiaobo; Hua, Jia; Feng, Shouhua","Two Three-Dimensional Metal−Organic Frameworks from Secondary Building Units of Zn8(OH)4(O2C−)12and Zn2((OH)(O2C−)3: [Zn2(OH)(btc)]2(4,4‘-bipy) and Zn2(OH)(btc)(pipe)","Crystal Growth & Design","2004","4","1","25","","10.1021/cg034084+","","","0.71073","MoKα","","0.028","0.0233","","","0.0589","0.0602","","","","","","1.038","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511626","16.3235","0.0009","16.3235","0.0009","11.6695","0.0009","90","","90","","90","","3109.4","0.3","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C28 H16 N2 O14 Zn4 -","- C28 H8 N2 O14 Zn4 -","- C112 H32 N8 O56 Zn16 -","4","0.25","","Shi, Zhan; Li, Guanghua; Wang, Lei; Gao, Lu; Chen, Xiaobo; Hua, Jia; Feng, Shouhua","Two Three-Dimensional Metal−Organic Frameworks from Secondary Building Units of Zn8(OH)4(O2C−)12and Zn2((OH)(O2C−)3: [Zn2(OH)(btc)]2(4,4‘-bipy) and Zn2(OH)(btc)(pipe)","Crystal Growth & Design","2004","4","1","25","","10.1021/cg034084+","","","0.71073","MoKα","","0.0619","0.0501","","","0.1261","0.1338","","","","","","1.06","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4513415","11.5255","","11.5255","","6.9634","","90","","90","","120","","801.072","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","Nd2 Ba3.259 Sr0.073 Cu0.667 Al2 O10","","- Al2 Ba3.259 Cu0.667 Nd2 O10 Sr0.073 -","- Al2 Ba3.25867 Cu0.666667 Nd2 O10 Sr0.0733333 -","- Al6 Ba9.776 Cu2 Nd6 O30 Sr0.22 -","3","0.25","","Scavini, M.; Mele, P.; Costa, G.A.; Ferretti, M.","Growth and structural characterization of needlelike metastable crystals in the Nd-Ba-Cu-(Al)-O system","Crystal Growth and Design","2004","4","","1259","1263","","","","","","","","","","","","","","","","","","","","","","has coordinates","151586","2020-10-21","18:00:00",""