# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-10T19:40:15+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Crystal Growth & Design') AND volume = 2 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
"2000018","10.1922","0.0011","14.2843","0.0015","23.164","0.002","99.197","0.003","93.272","0.003","102.595","0.003","3234.12","","","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C124 H120 Ag4 F12 N4 O12 S16 -","- C134 H108 Ag8 F18 N4 O18 S20 -","- C134 H108 Ag8 F18 N4 O18 S20 -","1","0.5","","Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki","Packing Principles of Thioether Derivatives of Triarylamine Silver Salts","Crystal Growth & Design","2002","2","2","101","105","10.1021/cg010030t","","","","","","","0.0501","","","0.0501","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000019","11.033","0.004","12.524","0.004","13.345","0.004","70.404","0.008","87.048","0.008","79.495","0.008","1707.96","","","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H45 Ag Cl N O7 S3 -","- C31 H37 Ag3 Cl N O7 S5 -","- C62 H74 Ag6 Cl2 N2 O14 S10 -","2","1","","Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki","Packing Principles of Thioether Derivatives of Triarylamine Silver Salts","Crystal Growth & Design","2002","2","2","101","105","10.1021/cg010030t","","","","","","","0.0599","","","0.0599","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000020","15.7848","0.0006","15.8557","0.0006","19.2559","0.0007","96.079","0.001","105.808","0.001","118.42","0.001","3917.05","","","","173","","","","","","","","","8","P -1","-P 1","2","","","","?","- C68 H63 Ag5 Cl4 F12 N3 S13 Sb2 -","- C136 H126 Ag10 Cl8 F24 N6 S26 Sb4 -","2","1","","Chen, Banglin; Lee, Stephen; Venkataraman, D.; DiSalvo, Francis J.; Lobkovsky, Emil; Nakayama, Miki","Packing Principles of Thioether Derivatives of Triarylamine Silver Salts","Crystal Growth & Design","2002","2","2","101","105","10.1021/cg010030t","","","","","","","0.0875","","","0.0875","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:42",""
"4500081","17.1641","0.0002","17.1641","0.0002","7.2676","0.0001","90","","90","","90","","2141.08","0.05","226","","226","","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","Tetrakis(3-hydroxyphenyl)silane","","","- C24 H20 O4 Si -","- C24 H20 O4 Si -","- C96 H80 O16 Si4 -","4","0.25","","Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Cryst. Growth & Design","2003","2","","535","540","","","","1.5418","CuKα","","0.0446","0.0445","","","0.1319","0.1321","","","","","","1.157","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500082","10.243","0.004","15.673","0.006","15.412","0.008","90","","100.86","0.04","90","","2429.9","1.9","223","2","223","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","Tetrakis(4-hydroxyphenyl)methane - ethyl acetate clathrate","","","- C29 H28 O6 -","- C29 H28 O6 -","- C116 H112 O24 -","4","1","","Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Cryst. Growth & Design","2003","2","","535","540","","","","1.54178","CuKα","","0.0715","0.0584","","","0.174","0.1835","","","","","","1.117","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4500083","14.962","0.009","15.855","0.011","19.697","0.013","90","","111.49","0.05","90","","4348","5","210","2","210","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","tetrakis(4-hydroxyphenyl)silane - water clathrate","","","- C24 H22 O5 Si -","- C24 H22 O5 Si -","- C192 H176 O40 Si8 -","8","1","","Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Cryst. Growth & Design","2003","2","","535","540","","","","1.54178","CuKα","","0.121","0.0784","","","0.1879","0.2049","","","","","","1.064","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4505761","14.5219","0.0009","16.7635","0.001","9.6313","0.0006","90","","105.455","0.002","90","","2259.8","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,15-diphenylporphyrin","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.6893","synchrotron","","0.0632","0.0493","","","0.1278","0.1317","","","","","","1.05","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505762","18.1798","0.0006","13.6747","0.0005","10.6943","0.0004","90","","99.238","0.001","90","","2624.16","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,15-diphenylporphyrin, dichloromethane solvate (1/1)","","- C33 H24 Cl2 N4 -","- C33 H24 Cl2 N4 -","- C132 H96 Cl8 N16 -","4","1","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.6893","synchrotron","","0.0588","0.0503","","","0.1297","0.1335","","","","","","1.042","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505763","8.6155","0.0005","15.7605","0.001","13.1152","0.0009","90","","104.238","0.002","90","","1726.14","0.19","180","2","180","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","5,15-diphenyl-2,8,12,18-tetraethyl-3,7,13,17-tetramethylporphyrin, alpha form","","- C44 H46 N4 -","- C44 H46 N4 -","- C88 H92 N8 -","2","0.25","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.6904","synchrotron","","0.0674","0.0524","","","0.1388","0.1474","","","","","","1.006","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505764","10.387","0.002","14.622","0.004","8.821","0.002","93.85","0.01","105.85","0.02","94.56","0.02","1279.2","0.5","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","5,15-diphenyl-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin, beta form","","- C60 H78 N4 -","- C60 H78 N4 -","- C60 H78 N4 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.7107","MoKα","","0.1159","0.0602","","","0.1139","0.1304","","","","","","0.99","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505765","10.974","0.002","17.163","0.003","6.895","0.002","99.73","0.01","92.87","0.02","87.86","0.01","1277.8","0.5","210","2","210","2","","","","","","","","3","P -1","-P 1","2","","5,15-diphenyl-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin, alpha form","","- C60 H78 N4 -","- C60 H78 N4 -","- C60 H78 N4 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.7107","MoKα","","0.1903","0.1038","","","0.212","0.2507","","","","","","1.035","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505766","10.143","0.001","14.541","0.001","9.357","0.002","92.4","0.01","104.21","0.01","71.63","0.01","1268.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5-(4-hydroxyphenyl)-15-phenyl-2,8,12,18-tetrahexyl -3,7,13,17-tetramethylporphyrin","","- C60 H78 N4 O -","- C60 H78 N4 O -","- C60 H78 N4 O -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.6919","synchrotron","","0.1001","0.0759","","","0.2071","0.2252","","","","","","1.044","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505767","10.053","0.002","14.64","0.003","9.551","0.002","92.8","0.01","104.13","0.02","72.38","0.01","1298.7","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","5,15-bis(3-hydroxyphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin","","- C60 H78 N4 O2 -","- C60 H78 N4 O2 -","- C60 H78 N4 O2 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.7107","MoKα","","0.1536","0.1231","","","0.2125","0.2288","","","","","","1.26","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505768","7.998","0.001","12.45","0.001","14.476","0.001","81.2","0.01","75.28","0.01","86.76","0.01","1377.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5,15-bis(3-methoxyphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin","","- C62 H82 N4 O2 -","- C62 H82 N4 O2 -","- C62 H82 N4 O2 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.5062","synchrotron","","0.1344","0.0866","","","0.2102","0.227","","","","","","0.927","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505769","6.981","0.0003","14.874","0.001","15.408","0.001","107.095","0.003","98.703","0.004","92.845","0.004","1504.08","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5,15-bis(4-cyanophenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin, chloroform solvate (1/2)","","- C64 H78 Cl6 N6 -","- C64 H78 Cl6 N6 -","- C64 H78 Cl6 N6 -","1","0.5","","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.","Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins","Crystal Growth & Design","2002","2","1","27","","10.1021/cg010029u","","","0.7107","MoKα","","0.1547","0.0967","","","0.2142","0.2482","","","","","","1.023","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505770","20.7389","0.0017","37.858","0.003","31.463","0.003","90","","90.038","0.002","90","","24703","4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C454 H136 O20 -","- C454 H136 O20 -","- C1816 H544 O80 -","4","1","","Atwood, Jerry L.; Barbour, Leonard J.; Raston, Colin L.","Supramolecular Organization of C60into Linear Columns of Five-Fold, Z-Shaped Strands","Crystal Growth & Design","2002","2","1","3","","10.1021/cg0155494","","","1.54178","CuKα","","0.2153","0.2086","","","0.5569","0.5718","","","","","","3.308","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505771","5.8745","0.0003","8.9512","0.0005","9.6833","0.0005","63.469","0.001","88.364","0.001","88.702","0.001","455.35","0.04","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","1,4-Butanebisphosphonic acid","","- C4 H12 O6 P2 -","- C4 H12 O6 P2 -","- C8 H24 O12 P4 -","2","1","","Mahmoudkhani, Amir H.; Langer, Vratislav","Supramolecular Isomerism and Isomorphism in the Structures of 1,4-Butanebisphosphonic Acid and Its Organic Ammonium Salts","Crystal Growth & Design","2002","2","1","21","","10.1021/cg015553f","","","0.71073","MoKα","","0.0549","0.0393","","","0.0974","0.1062","","","","","","1.03","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505772","10.7794","0.0003","5.7405","0.0002","14.248","0.0004","90","","90","","90","","881.65","0.05","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,4-Butanebisphosphonic acid","","- C4 H12 O6 P2 -","- C4 H12 O6 P2 -","- C16 H48 O24 P8 -","4","1","","Mahmoudkhani, Amir H.; Langer, Vratislav","Supramolecular Isomerism and Isomorphism in the Structures of 1,4-Butanebisphosphonic Acid and Its Organic Ammonium Salts","Crystal Growth & Design","2002","2","1","21","","10.1021/cg015553f","","","0.71073","MoKα","","0.076","0.063","","","0.17","0.181","","","","","","1.051","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505773","18.7245","0.0006","6.7899","0.0003","8.0295","0.0003","90","","91.394","0.001","90","","1020.55","0.07","163","2","163","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Anilinium butanebisphosphonate","","- C16 H26 N2 O6 P2 -","- C16 H26 N2 O6 P2 -","- C32 H52 N4 O12 P4 -","2","0.5","","Mahmoudkhani, Amir H.; Langer, Vratislav","Supramolecular Isomerism and Isomorphism in the Structures of 1,4-Butanebisphosphonic Acid and Its Organic Ammonium Salts","Crystal Growth & Design","2002","2","1","21","","10.1021/cg015553f","","","0.71073","MoKα","","0.097","0.06","","","0.144","0.173","","","","","","1.087","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505774","65.3761","0.0008","6.3533","0.0001","7.4586","0.0001","90","","90.291","0.001","90","","3097.92","0.07","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","p-Phenylazoanilinium butanebisphosphonate","","- C28 H34 N6 O6 P2 -","- C28 H34 N6 O6 P2 -","- C112 H136 N24 O24 P8 -","4","0.5","","Mahmoudkhani, Amir H.; Langer, Vratislav","Supramolecular Isomerism and Isomorphism in the Structures of 1,4-Butanebisphosphonic Acid and Its Organic Ammonium Salts","Crystal Growth & Design","2002","2","1","21","","10.1021/cg015553f","","","0.71073","MoKα","","0.047","0.037","","","0.095","0.102","","","","","","1.066","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505775","6.927","0.0011","10.8968","0.0018","14.735","0.002","101.312","0.006","100.335","0.006","95.999","0.004","1061.6","0.3","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 N4 O8 -","- C52 H32 N4 O8 -","- C52 H32 N4 O8 -","1","0.5","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.1115","0.0669","","","0.1889","0.2147","","","","","","1.06","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505776","9.806","0.0006","10.8427","0.0006","13.0429","0.0008","74.672","0.002","73.633","0.002","89.016","0.002","1280.78","0.13","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H56 N6 O8 -","- C62 H56 N6 O8 -","- C62 H56 N6 O8 -","1","0.5","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.088","0.055","","","0.1378","0.1506","","","","","","0.951","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505777","13.0965","0.0011","13.8019","0.0013","13.9915","0.0012","63.41","0.002","84.946","0.004","75.216","0.003","2185.7","0.3","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H52 N4 O10 -","- C52 H52 N4 O10 -","- C104 H104 N8 O20 -","2","1","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.0635","0.0415","","","0.0914","0.1001","","","","","","0.934","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505778","13.735","0.002","27.419","0.006","18.398","0.004","90","","109.087","0.007","90","","6548","2","90","1","90","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C79 H86 N3 O21 -","- C79 H72 N3 O21 -","- C316 H288 N12 O84 -","4","1","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.1927","0.0937","","","0.2526","0.3065","","","","","","0.97","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505779","30.608","0.003","16.8606","0.0016","22.005","0.002","90","","105.517","0.002","90","","10942.2","1.8","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H71 N4 O12.5 -","- C59 H68 N4 O12.5 -","- C472 H544 N32 O100 -","8","1","","Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip","Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System","Crystal Growth & Design","2002","2","1","7","13","10.1021/cg0155595","","","0.71073","MoKα","","0.098","0.0587","","","0.1492","0.173","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505780","12.7323","0.0002","13.9467","0.0002","13.6415","0.0002","90","","112.449","0.001","90","","2238.8","0.06","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl4 Hg N6 O -","- C18 H14 Cl4 Hg N6 O -","- C72 H56 Cl16 Hg4 N24 O4 -","4","1","","Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S.; Smith, Jonathan P.","Crystal Engineering with Mercuric Chloride","Crystal Growth & Design","2002","2","2","87","","10.1021/cg0155696","","","0.71073","MoKα","","0.0497","0.0433","","","0.1059","0.1092","","","","","","1.077","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505781","7.4584","0.0002","10.811","0.0005","31.7206","0.0013","90","","90","","90","","2557.72","0.17","123","2","123","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C6 H12 Cl4 Hg2 N4 -","- C6 H12 Cl4 Hg2 N4 -","- C48 H96 Cl32 Hg16 N32 -","8","0.25","","Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S.; Smith, Jonathan P.","Crystal Engineering with Mercuric Chloride","Crystal Growth & Design","2002","2","2","87","","10.1021/cg0155696","","","0.71073","MoKα","","0.033","0.029","","","0.0768","0.0775","","","","","","1.136","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505782","9.3817","0.0002","9.3817","0.0002","33.7473","0.0004","90","","90","","120","","2572.37","0.08","120","2","120","2","","","","","","","synthesis as described","6","P 61","P 61","169","","","","- C8 H22 Co F6 N10 P -","- C8 H22 Co F6 N10 P -","- C48 H132 Co6 F36 N60 P6 -","6","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0773","0.0669","","","0.1565","0.1646","","","","","","1.034","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505783","9.9239","0.0003","10.0786","0.0003","15.1643","0.0005","90","","92.782","0.001","90","","1514.93","0.08","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Co N11 O3 -","- C8 H22 Co N11 O3 -","- C32 H88 Co4 N44 O12 -","4","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0645","0.0367","","","0.0721","0.0805","","","","","","1.046","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505784","10.0255","0.0002","10.3728","0.0002","15.0556","0.0003","90","","92.6949","0.0008","90","","1563.94","0.05","293","","293","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Co I N10 -","- C8 H22 Co I N10 -","- C32 H88 Co4 I4 N40 -","4","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0838","0.0411","","","0.0755","0.0866","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505785","14.3546","0.0005","8.1446","0.0002","13.5195","0.0004","90","","100.177","","90","","1555.73","0.08","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Br Co N10 -","- C8 H22 Br Co N10 -","- C32 H88 Br4 Co4 N40 -","4","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0685","0.0443","","","0.1011","0.1113","","","","","","1.029","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505786","12.372","0.0002","15.8687","0.0003","16.8796","0.0003","90","","90","","90","","3313.93","0.1","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 Cl Co N10 O2 -","- C8 H22 Cl Co N10 O2 -","- C64 H176 Cl8 Co8 N80 O16 -","8","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0681","0.0417","","","0.1043","0.1157","","","","","","1.033","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505787","13.29","0.005","13.753","0.006","14.598","0.006","80.53","0.03","66.83","0.03","65.85","0.03","2238.3","1.7","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H31 Br8 N4 -","- C49 H31 Br8 N4 -","- C98 H62 Br16 N8 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Marjo, Christopher E.; Scudder, Marcia L.","Staircase Inclusion Compounds Formed by Tetrahalodiquinoline Hosts","Crystal Growth & Design","2002","2","5","421","","10.1021/cg020017o","","","0.71073","MoKα","","","0.055","","","","0.078","","","","","","1.44","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505788","13.861","0.008","14.305","0.009","14.969","0.009","77.85","0.03","64.18","0.03","66.84","0.03","2454","3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H32 I8 N4 -","- C49.5 H30.5 I8 N4 -","- C99 H61 I16 N8 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Marjo, Christopher E.; Scudder, Marcia L.","Staircase Inclusion Compounds Formed by Tetrahalodiquinoline Hosts","Crystal Growth & Design","2002","2","5","421","","10.1021/cg020017o","","","0.71073","MoKα","","","0.058","","","","0.086","","","","","","1.76","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505789","14.044","0.006","14.997","0.007","22.395","0.009","77.35","0.03","84.2","0.03","81.51","0.03","4540","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H64 Br16 N8 O2 -","- C96 H64 Br16 N8 O2 -","- C192 H128 Br32 N16 O4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Marjo, Christopher E.; Scudder, Marcia L.","Staircase Inclusion Compounds Formed by Tetrahalodiquinoline Hosts","Crystal Growth & Design","2002","2","5","421","","10.1021/cg020017o","","","0.71073","MoKα","","","0.057","","","","0.065","","","","","","1.81","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505790","23.275","0.008","16.383","0.006","14.475","0.006","90","","121.77","0.02","90","","4693","3","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H17.5 Br4 N2.5 O0.5 -","- C25 H16.5 Br4 N2.5 O0.5 -","- C200 H132 Br32 N20 O4 -","8","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Marjo, Christopher E.; Scudder, Marcia L.","Staircase Inclusion Compounds Formed by Tetrahalodiquinoline Hosts","Crystal Growth & Design","2002","2","5","421","","10.1021/cg020017o","","","0.71073","MoKα","","","0.062","","","","0.073","","","","","","1.74","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505791","21.8603","0.0005","5.3335","0.0001","22.2337","0.0006","90","","111.929","0.0011","90","","2404.72","0.1","150","","150","","","","","","","","Nabumatone","3","P 1 21/c 1","-P 2ybc","14","","Nabumatone Form I","","- C15 H16 O2 -","- C15 H16 O2 -","- C120 H128 O16 -","8","2","","Chyall, Leonard J.; Tower, Jeanette M.; Coates, David A.; Houston, Travis L.; Childs, Scott L.","Polymorph Generation in Capillary Spaces: The Preparation and Structural Analysis of a Metastable Polymorph of Nabumetone","Crystal Growth & Design","2002","2","6","505","","10.1021/cg0200311","","","0.71073","MO-Kα","","","0.044","","","","0.108","","","","","","1.008","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505792","26.9485","0.0004","5.8773","0.0004","7.896","0.0018","90","","91.767","0.003","90","","1250","0.3","150","","150","","","","","","","","Nabumatone","3","P 1 21/c 1","-P 2ybc","14","","Nabumatone Form II","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Chyall, Leonard J.; Tower, Jeanette M.; Coates, David A.; Houston, Travis L.; Childs, Scott L.","Polymorph Generation in Capillary Spaces: The Preparation and Structural Analysis of a Metastable Polymorph of Nabumetone","Crystal Growth & Design","2002","2","6","505","","10.1021/cg0200311","","","0.71073","MO-Kα","","","0.06","","","","0.152","","","","","","0.997","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505793","37.233","0.007","19.987","0.004","17.011","0.003","90","","97.82","0.03","90","","12541","4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H82.5 N1.5 O2 P2 -","- C70 H82.5 N1.5 O2 P2 -","- C560 H660 N12 O16 P16 -","8","2","","Broder, Charlotte K.; Davidson, Matthew G.; Forsyth, V. Trevor; Howard, Judith A. K.; Lamb, Sarah; Mason, Sax A.","On the Reliability of C−H···O Interactions in Crystal Engineering: Synthesis and Structure of Two Hydrogen Bonded Phosphonium Bis(aryloxide) Salts","Crystal Growth & Design","2002","2","3","163","","10.1021/cg025503q","","","0.71073","MoKα","","0.104","0.0651","","","0.1569","0.1771","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505794","18.048","0.002","18.776","0.002","19.106","0.003","90","","90","","90","","6474.4","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H88 N2 O2 P2 -","- C73 H88 N2 O2 P2 -","- C292 H352 N8 O8 P8 -","4","1","","Broder, Charlotte K.; Davidson, Matthew G.; Forsyth, V. Trevor; Howard, Judith A. K.; Lamb, Sarah; Mason, Sax A.","On the Reliability of C−H···O Interactions in Crystal Engineering: Synthesis and Structure of Two Hydrogen Bonded Phosphonium Bis(aryloxide) Salts","Crystal Growth & Design","2002","2","3","163","","10.1021/cg025503q","","","0.71073","MoKα","","0.0418","0.0346","","","0.0795","0.0853","","","","","","1.096","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505795","17.8957","0.0002","18.6462","0.0002","18.9466","0.0002","90","","90","","90","","6322.23","0.12","20","2","20","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H88 N2 O2 P2 -","- C73 H88 N2 O2 P2 -","- C292 H352 N8 O8 P8 -","4","1","","Broder, Charlotte K.; Davidson, Matthew G.; Forsyth, V. Trevor; Howard, Judith A. K.; Lamb, Sarah; Mason, Sax A.","On the Reliability of C−H···O Interactions in Crystal Engineering: Synthesis and Structure of Two Hydrogen Bonded Phosphonium Bis(aryloxide) Salts","Crystal Growth & Design","2002","2","3","163","","10.1021/cg025503q","","","1.3099","Nuclearreactor","","0.0624","0.0593","","","0.1472","0.1497","","","","","","1.07","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505796","11.342","0.003","13.087","0.004","12.982","0.004","90","","95.93","0.006","90","","1916.6","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Ag2 Cl2 N0 O8 S4 -","- C28 H44 Ag2 Cl2 O8 S4 -","- C56 H88 Ag4 Cl4 O16 S8 -","2","0.5","","Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua","Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands","Crystal Growth & Design","2002","2","4","303","","10.1021/cg025510e","","","0.71073","MoKα","","0.1445","0.0588","","","0.1445","0.1733","","","","","","1.045","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505797","10.674","0.003","23.49","0.006","8.452","0.002","90","","91.79","0.005","90","","2118.2","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Ag Cl O4 S2 -","- C20 H18 Ag Cl O4 S2 -","- C80 H72 Ag4 Cl4 O16 S8 -","4","1","","Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua","Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands","Crystal Growth & Design","2002","2","4","303","","10.1021/cg025510e","","","0.71073","MoKα","","0.1959","0.0434","","","0.0793","0.1151","","","","","","0.808","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505798","9.2013","0.0014","10.1824","0.0017","19.267","0.003","90","","103.533","0.003","90","","1755","0.5","298","2","298","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H40 Ag Cl O4 S4 -","- C34 H40 Ag Cl O4 S4 -","- C68 H80 Ag2 Cl2 O8 S8 -","2","1","","Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua","Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands","Crystal Growth & Design","2002","2","4","303","","10.1021/cg025510e","","","0.71073","MoKα","","0.0322","0.0306","","","0.0832","0.0847","","","","","","1.045","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505799","10.514","0.016","10.514","0.016","15.58","0.03","70.75","0.03","70.75","0.03","62.15","0.02","1405","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 Ag Cl N0 O4 S3 -","- C27 H24 Ag Cl O4 S3 -","- C54 H48 Ag2 Cl2 O8 S6 -","2","1","","Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua","Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands","Crystal Growth & Design","2002","2","4","303","","10.1021/cg025510e","","","0.71073","MoKα","","0.1","0.0575","","","0.1373","0.1585","","","","","","0.965","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505800","7.692","0.0007","9.0616","0.0008","9.0813","0.0008","119.833","0.001","106.877","0.002","95.091","0.002","504.3","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","","Bosch, Eric; Barnes, Charles L.","Triangular Halogen−Halogen−Halogen Interactions as a Cohesive Force in the Structures of Trihalomesitylenes","Crystal Growth & Design","2002","2","4","299","","10.1021/cg025517w","","","0.71073","MoKα","","0.0503","0.0432","","","0.1135","0.1175","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505801","7.982","0.004","9.587","0.004","9.627","0.006","120.01","0.007","108.548","0.008","94.437","0.008","579.2","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","","Bosch, Eric; Barnes, Charles L.","Triangular Halogen−Halogen−Halogen Interactions as a Cohesive Force in the Structures of Trihalomesitylenes","Crystal Growth & Design","2002","2","4","299","","10.1021/cg025517w","","","0.71073","MoKα","","0.051","0.0449","","","0.1216","0.1265","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505802","6.5864","0.0013","23.353","0.005","7.0345","0.0014","90","","96.07","0.03","90","","1075.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1:0.5 Molecular complex of 5-Nitrosalicylic acid and trans-1,4-dithiane-1,4-dioxide","1:0.5 Molecular complex of 5-Nitrosalicylic acid and trans-1,4-dithiane-1,4-dioxide","","- C9 H9 N O6 S -","- C9 H9 N O6 S -","- C36 H36 N4 O24 S4 -","4","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Katz, Amy K.; Carrell, H. L.","Molecular Complexes of Some Mono- and Dicarboxylic Acids withtrans-1,4-Dithiane-1,4-dioxide","Crystal Growth & Design","2002","2","4","313","","10.1021/cg025523s","","","0.71073","MoKα","","0.0951","0.0448","","","0.0998","0.1311","","","","","","1.094","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4505803","6.221","0.0012","6.566","0.0013","7.685","0.0015","89.78","0.03","79.36","0.03","64.55","0.03","277.56","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1:1 Molecular complex of succinic acid and trans-1,4-dithiane-1,4-dioxide","1:1 Molecular complex of Succinic acid and trans-1,4-dithiane-1,4-dioxide","","- C4 H7 O3 S -","- C4 H7 O3 S -","- C8 H14 O6 S2 -","2","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Katz, Amy K.; Carrell, H. L.","Molecular Complexes of Some Mono- and Dicarboxylic Acids withtrans-1,4-Dithiane-1,4-dioxide","Crystal Growth & Design","2002","2","4","313","","10.1021/cg025523s","","","0.71073","MoKα","","0.0376","0.0364","","","0.0967","0.0981","","","","","","1.116","","","","has coordinates","288183","2023-12-08","14:43:00",""
"4505804","13.766","0.003","6.2818","0.0013","18.675","0.004","90","","111.53","0.03","90","","1502.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1:1 Molecular complex of 3,5-Dinitrosalicylic acid and trans-1,4-dithiane-1,4-dioxide","1:1 Molecular complex of 3,5-Dinitrosalicylic acid and trans-1,4-dithiane-1,4-dioxide","","- C11 H12 N2 O9 S2 -","- C11 H12 N2 O9 S2 -","- C44 H48 N8 O36 S8 -","4","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Katz, Amy K.; Carrell, H. L.","Molecular Complexes of Some Mono- and Dicarboxylic Acids withtrans-1,4-Dithiane-1,4-dioxide","Crystal Growth & Design","2002","2","4","313","","10.1021/cg025523s","","","0.71073","MoKα","","0.0617","0.045","","","0.1199","0.1321","","","","","","1.041","","","","has coordinates","288183","2023-12-08","14:43:00",""
"4505805","6.264","0.0013","6.657","0.0013","7.613","0.0015","100.12","0.03","97.09","0.03","114.2","0.03","278.22","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1:1:2 Molecular complex of oxalic acid, trans-1,4-dithiane-1,4-dioxide and water","1:1:2 Molecular complex of oxalic acid,trans-1,4-dithiane-1,4-dioxide and water","","- C3 H7 O4 S -","- C3 H7 O4 S -","- C6 H14 O8 S2 -","2","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Katz, Amy K.; Carrell, H. L.","Molecular Complexes of Some Mono- and Dicarboxylic Acids withtrans-1,4-Dithiane-1,4-dioxide","Crystal Growth & Design","2002","2","4","313","","10.1021/cg025523s","","","0.71073","MoKα","","0.039","0.0383","","","0.1001","0.1008","","","","","","1.105","","","","has coordinates","288183","2023-12-08","14:43:00",""
"4505806","3.814","0.001","12.371","0.003","28.132","0.005","90","","91.5","0.02","90","","1326.9","0.5","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.0731","0.065","","0.1051","0.0982","","","","","1.234","1.234","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505807","4.6002","0.0007","31.947","0.004","9.511","0.001","90","","92.81","0.01","90","","1396.1","0.3","293","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.1503","0.0409","","0.0537","0.0425","","","","","1.493","1.493","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505808","3.859","0.001","30.971","0.005","11.346","0.002","90","","91.17","0.02","90","","1355.8","0.5","295","","295","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.0549","0.0303","","0.0398","0.0362","","","","","1.372","1.372","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505809","8.543","0.003","12.697","0.004","12.572","0.004","90","","101.52","0.03","90","","1336.2","0.8","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.1132","0.0435","","0.0559","0.0485","","","","","1.554","1.554","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505810","9.8283","0.0011","6.1935","0.0007","10.6465","0.0012","90","","106.616","0.002","90","","621.01","0.12","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diketopiperazine + chloranillic acid","","- C10 H8 Cl2 N2 O6 -","- C10 H8 Cl2 N2 O6 -","- C20 H16 Cl4 N4 O12 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0451","0.0383","","","0.1053","0.1102","","","","","","1.057","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505811","8.895","0.002","5.1184","0.0012","12.39","0.003","90","","107.169","0.003","90","","539","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diketopiperazine + 2,5-dichlorohydroquinone","","- C10 H10 Cl2 N2 O4 -","- C10 H10 Cl2 N2 O4 -","- C20 H20 Cl4 N4 O8 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0569","0.0368","","","0.0719","0.0773","","","","","","0.918","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505812","9.374","0.0006","29.318","0.002","12.5881","0.0009","90","","102.958","0.002","90","","3371.5","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DKP.2PPA","diketopiperazine + propiolic acid","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C120 H120 N24 O72 -","12","3","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.1398","0.0416","","","0.0891","0.1194","","","","","","0.788","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505813","26.3318","0.0011","6.355","0.0003","12.9136","0.0005","90","","90","","90","","2160.94","0.16","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","diketopiperazine + 2,5-dihydroxybenzoic acid","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C88 H96 N16 O48 -","8","2","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0694","0.0604","","","0.172","0.178","","","","","","1.074","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505814","3.8469","0.0002","6.1731","0.0004","40.63","0.003","90","","90.78","0.001","90","","964.76","0.11","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diketopiperazine + 2,5-dichlorobenzoic acid","","- C18 H14 Cl4 N2 O6 -","- C18 H14 Cl4 N2 O6 -","- C36 H28 Cl8 N4 O12 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0718","0.0464","","","0.0926","0.1026","","","","","","1.05","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505815","11.816","0.002","5.4552","0.001","14.331","0.003","90","","98.255","0.002","90","","914.2","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diketopiperazine + 5-chlorosalicylic acid","","- C18 H16 Cl2 N2 O8 -","- C18 H16 Cl2 N2 O8 -","- C36 H32 Cl4 N4 O16 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0601","0.0382","","","0.083","0.0903","","","","","","0.924","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505816","5.9359","0.0009","6.5936","0.0009","7.3042","0.001","109.262","0.003","90.762","0.003","116.527","0.002","237.06","0.06","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","diketopiperazine + fumaric acid","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","1","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0452","0.041","","","0.1123","0.1153","","","","","","1.13","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505817","6.5698","0.0009","6.6864","0.001","6.9614","0.001","97.89","0.003","93.11","0.003","93.426","0.003","301.76","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","diketopiperazine + 2,5-dydroxyterephthalic acid","","- C12 H12 N2 O6 -","- C12 H12 N2 O8 -","- C12 H12 N2 O8 -","1","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.075","0.0396","","0.0953","0.0841","","","","0.88","0.997","0.997","","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505818","6.6393","0.0012","6.9913","0.0013","7.0627","0.0014","100.371","0.004","97.433","0.004","92.838","0.004","318.87","0.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","diketopiperazine + 2,5-dichloroterephthalic acid","","- C12 H10 Cl2 N2 O6 -","- C12 H10 Cl2 N2 O6 -","- C12 H10 Cl2 N2 O6 -","1","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0577","0.0418","","","0.1004","0.1067","","","","","","0.986","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505819","12.08","0.004","6.278","0.002","6.788","0.002","90","","95.017","0.007","90","","512.8","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diketopiperazine + 2,5-dihydroxybenzoquinone","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C20 H20 N4 O12 -","2","0.5","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.1565","0.1201","","","0.3426","0.3494","","","","","","1.939","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505820","5.3223","0.0019","7.831","0.003","12.08","0.004","99.815","0.007","91.105","0.007","91.279","0.009","495.9","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","diketopiperazine + 2,5-dihydroxybenzoquinone","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C20 H20 N4 O12 -","2","1","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.2299","0.0927","","","0.2252","0.2846","","","","","","0.92","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505821","22.255","0.014","6.89","0.004","16.204","0.012","90","","118.34","0.03","90","","2187","3","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3,5-Cyclohexane tricarboxylic acid mono hydrate","1,3,5-Cyclohexane tricarboxylic acid mono hydrate","","- C9 H14 O7 -","- C9 H14 O7 -","- C72 H112 O56 -","8","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Four-Fold Inclined Interpenetrated and Three-Fold Parallel Interpenetrated Hydrogen Bond Networks in 1,3,5-Cyclohexanetricarboxylic Acid Hydrate and Its Molecular Complex with 4,4‘-Bipyridine","Crystal Growth & Design","2002","2","5","325","","10.1021/cg025537y","","","0.71073","MoKα","","0.0433","0.04","","","0.1045","0.1079","","","","","","1.028","","","","has coordinates","288183","2023-12-08","14:43:00",""
"4505822","10.5609","0.0004","14.2226","0.0006","16.9229","0.0007","113.293","0.001","102.553","0.001","93.852","0.001","2245.41","0.16","93","2","93","2","","","","","","","","4","P -1","-P 1","2","2:3 complex of 1,3,5-cyclohexane tricarboxylic acid and 4,4'-bypyridine mono hydrate","2:3 complex of 1,3,5-cyclohexane tricarboxylic acid and 4,4'-bypyridine mono hydrate","","- C48 H50 N6 O13 -","- C48 H50 N6 O13 -","- C96 H100 N12 O26 -","2","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Four-Fold Inclined Interpenetrated and Three-Fold Parallel Interpenetrated Hydrogen Bond Networks in 1,3,5-Cyclohexanetricarboxylic Acid Hydrate and Its Molecular Complex with 4,4‘-Bipyridine","Crystal Growth & Design","2002","2","5","325","","10.1021/cg025537y","","","0.71073","MoKα","","0.0655","0.0445","","","0.1067","0.1169","","","","","","1.036","","","","has coordinates","288183","2023-12-08","14:43:00",""
"4505823","8.3023","0.0004","15.5573","0.0008","7.3435","0.0004","90","","94.351","0.001","90","","945.76","0.08","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O12 Zn2 -","- C14 H15 N2 O11.5 Zn2 -","- C28 H30 N4 O23 Zn4 -","2","0.5","","Lu, Jack Y.; Macias, Jose; Lu, Jiageng; Cmaidalka, Jared E.","An Unforeseen Chemical Rearrangement of Pyridinecarboxylate to Oxalate under Hydrothermal Conditions Afforded the First Oxalato and Isonicotinato Mixed-Ligand Guest-Inclusion Coordination Polymer","Crystal Growth & Design","2002","2","6","485","","10.1021/cg025539i","","","0.71073","MoKα","","0.0247","0.0224","","","0.0622","0.0645","","","","","","1.116","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505824","10.996","0.004","12.903","0.005","14.276","0.006","73.33","0.03","72.54","0.03","88.86","0.02","1846.1","1.3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 Cd2 P2 S6 -","- C84 H70 Cd2 P2 S6 -","- C84 H70 Cd2 P2 S6 -","1","0.5","","Ali, Basem; Dance, Ian; Scudder, Marcia; Craig, Don","Dimorphs of (Ph4P)2[Cd2(SPh)6]: Crystal Packing Analyses and the Interplay of Intermolecular and Intramolecular Energies","Crystal Growth & Design","2002","2","6","601","","10.1021/cg0255422","","","0.71073","MoKα","","","0.034","","","","0.041","","","","","","1.3","","","","has coordinates","192053","2020-10-21","18:00:00",""
"4505825","9.823","0.004","11.587","0.004","20.385","0.007","95.1","0.02","92.423","0.019","98.9","0.02","2279.5","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H64 Co3 N2 O39 -","- C25 H64 Co3 N2 O39 -","- C50 H128 Co6 N4 O78 -","2","1","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Novel Sandwich Coordination Polymers Composed of Cobalt(II), 1,2,4,5-Benzenetetracarboxylato Ligands, and Homopiperazonium Cations","Crystal Growth & Design","2002","2","5","415","","10.1021/cg025547z","","","0.71073","MoKα","","0.087","0.0713","","","0.211","0.2273","","","","","","1.103","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505826","9.7755","0.0017","11.208","0.003","11.224","0.002","60.304","0.012","73.687","0.012","84.311","0.014","1024","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H28 Co N2 O14 -","- C15 H28 Co N2 O14 -","- C30 H56 Co2 N4 O28 -","2","1","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Novel Sandwich Coordination Polymers Composed of Cobalt(II), 1,2,4,5-Benzenetetracarboxylato Ligands, and Homopiperazonium Cations","Crystal Growth & Design","2002","2","5","415","","10.1021/cg025547z","","","0.71073","MoKα","","0.0586","0.0473","","","0.1199","0.128","","","","","","1.019","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505827","8.5296","0.0003","13.4064","0.0004","14.8556","0.0004","80.821","0.002","83.5804","0.0019","76.8349","0.0016","1627.89","0.09","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H32 Ag2 B2 F8 N4 O2 Si2 -","- C24 H28 Ag2 B2 F8 N4 O2 Si2 -","- C48 H56 Ag4 B4 F16 N8 O4 Si4 -","2","1","","Jung, Ok-Sang; Lee, Young-A; Kim, Yun Ju; Hong, Jongki","“Cyclic Tetramer” vs “Dimer of Cyclic Dimer”: Subtle Anion Effects on the Cyclization of AgBF4vs AgClO4with Bis(3-pyridyl)dimethylsilane","Crystal Growth & Design","2002","2","6","497","","10.1021/cg025555f","","","0.71073","MoKα","","0.0837","0.0588","","","0.1575","0.1872","","","","","","1.07","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505828","12.5075","0.0002","32.3068","0.0007","15.6988","0.0003","90","","101.081","0.0011","90","","6225.3","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Ag4 Cl4 N8 O16 Si4 -","- C48 H56 Ag4 Cl4 N8 O16 Si4 -","- C192 H224 Ag16 Cl16 N32 O64 Si16 -","4","1","","Jung, Ok-Sang; Lee, Young-A; Kim, Yun Ju; Hong, Jongki","“Cyclic Tetramer” vs “Dimer of Cyclic Dimer”: Subtle Anion Effects on the Cyclization of AgBF4vs AgClO4with Bis(3-pyridyl)dimethylsilane","Crystal Growth & Design","2002","2","6","497","","10.1021/cg025555f","","","0.71073","MoKα","","0.1124","0.0637","","","0.1716","0.2206","","","","","","1.037","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505829","21.868","0.015","5.33","0.004","22.228","0.015","90","","111.934","0.012","90","","2403","3","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C120 H128 O16 -","8","2","","Price, Christopher P.; Grzesiak, Adam L.; Lang, Meidong; Matzger, Adam J.","Polymorphism of Nabumetone","Crystal Growth & Design","2002","2","6","501","","10.1021/cg0255568","","","0.71073","MoKα","","0.0514","0.0369","","","0.0971","0.1033","","","","","","1.049","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505830","26.902","0.006","5.8844","0.0013","7.8965","0.0018","90","","91.86","0.004","90","","1249.4","0.5","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Price, Christopher P.; Grzesiak, Adam L.; Lang, Meidong; Matzger, Adam J.","Polymorphism of Nabumetone","Crystal Growth & Design","2002","2","6","501","","10.1021/cg0255568","","","0.71073","MoKα","","0.0531","0.0421","","","0.1156","0.1246","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505831","6.6692","0.0005","7.7834","0.0015","21.5744","0.0018","90","","90","","90","","1119.9","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2-(2,4,5-Trichloroanilino)propionic Acid","","- C9 H8 Cl3 N O2 -","- C9 H8 Cl3 N O2 -","- C36 H32 Cl12 N4 O8 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.1039","0.0561","","","0.1139","0.1324","","","","","","1.06","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505832","7.3401","0.0007","7.3444","0.0005","10.9613","0.0011","98.251","0.006","104.866","0.008","101.768","0.007","547.02","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(±)-2-(2,4,5-Trichloroanilino)propionic Acid","","- C9 H8 Cl3 N O2 -","- C9 H8 Cl3 N O2 -","- C18 H16 Cl6 N2 O4 -","2","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.053","0.0371","","","0.0935","0.1027","","","","","","1.024","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505833","14.309","0.004","21.796","0.006","7.076","0.002","90","","90","","90","","2206.9","1.1","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(R)-2-(2,4,5-Trichlorophenoxy)propionic Acid","","- C9 H7 Cl3 O3 -","- C9 H7 Cl3 O3 -","- C72 H56 Cl24 O24 -","8","2","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.171","0.0685","","","0.1009","0.1279","","","","","","1.011","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505834","7.246","0.002","7.277","0.002","10.92","0.003","98.547","0.015","104.75","0.02","101.442","0.016","533.6","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","(S)-2-(2,4,5-Trichloroanilino)propionic Acid, (R)-2-(2,4,5-Trichlorophenoxy)propionic Acid","","- C18 H15 Cl6 N O5 -","- C18 H15 Cl6 N O5 -","- C18 H15 Cl6 N O5 -","1","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.0637","0.0386","","","0.0842","0.0956","","","","","","1.029","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505835","8.3945","0.0005","9.5771","0.0005","17.0613","0.001","90","","90","","90","","1371.64","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-Chlorobenzoyl)-?-methylbenzylamine, (R)-1a","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1443","0.0586","","","0.0995","0.124","","","","","","1.023","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505836","5.1082","0.0008","16.161","0.003","32.365","0.003","90","","90","","90","","2671.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-Chlorobenzoyl)-?-methylbenzylamine, (R)-1b","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1994","0.072","","","0.1104","0.1466","","","","","","1.008","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505837","8.7493","0.0005","17.6087","0.0011","9.4563","0.0006","90","","108.697","0.005","90","","1379.99","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-N-(2-Chlorobenzoyl)-?-methylbenzylamine, (±)-1","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1283","0.0601","","","0.1288","0.1562","","","","","","1.039","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505838","8.439","0.0008","9.5812","0.0012","17.171","0.002","90","","90","","90","","1388.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-Bromobenzoyl)-?-methylbenzylamine, (S)-2","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C60 H56 Br4 N4 O4 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1194","0.0461","","","0.0917","0.1117","","","","","","1.036","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505839","9.4207","0.0007","16.3613","0.0013","18.3476","0.0018","90","","90","","90","","2828","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(±)-N-(2-Bromobenzoyl)-?-methylbenzylamine, (±)-2","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C120 H112 Br8 N8 O8 -","8","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.2033","0.061","","","0.1053","0.1456","","","","","","0.953","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505840","8.779","0.0008","17.6991","0.0018","9.4652","0.0009","90","","108.391","0.008","90","","1395.6","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-N-(2-Chlorobenzoyl)-?-methylbenzylamine/(S)-N-(2-Bromobenzoyl)-?-methylbenzylamine, 3","","- C30 H28 Br Cl N2 O2 -","- C30 H28 Br Cl N2 O2 -","- C60 H56 Br2 Cl2 N4 O4 -","2","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.0937","0.0598","","","0.138","0.1533","","","","","","1.07","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505841","10.512","0.0011","10.6129","0.0013","11.9898","0.0017","99.491","0.011","104.692","0.01","92.19","0.009","1271.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Fe N2 O4 -","- C32 H26 Fe N2 O4 -","- C64 H52 Fe2 N4 O8 -","2","1","","Shin, Dong Mok; Chung, Young Keun; Lee, In Su","Self-Assembly of Discrete Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Terephthalic and Trimesic Acids","Crystal Growth & Design","2002","2","6","493","","10.1021/cg025573x","","","0.71073","MoKα","","0.0939","0.0528","","","0.1197","0.1365","","","","","","1.051","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505842","13.0232","0.0005","23.4426","0.0007","33.1664","0.0012","90","","90","","90","","10125.6","0.6","150","","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H58 Fe1.5 N3 O10 -","- C56 H57 Fe1.5 N3 O10 -","- C448 H456 Fe12 N24 O80 -","8","1","","Shin, Dong Mok; Chung, Young Keun; Lee, In Su","Self-Assembly of Discrete Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Terephthalic and Trimesic Acids","Crystal Growth & Design","2002","2","6","493","","10.1021/cg025573x","","","0.71073","MoKα","","0.1877","0.0962","","","0.222","0.2875","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511663","7.8764","0.0008","7.9089","0.0008","12.3566","0.0013","106.212","0.002","90.475","0.002","94.864","0.002","736.06","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 B Li N O4 -","- C14 H13 B Li N O5 -","- C28 H26 B2 Li2 N2 O10 -","2","1","","Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs","Structural Features of Lithium Organoborates","Crystal Growth & Design","2002","2","2","111","","10.1021/cg010035q","","","0.71073","MoKα","","0.0953","0.0525","","","0.1291","0.1576","","","","","","0.865","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511664","7.9406","0.0019","9.919","0.003","11.961","0.003","79.233","0.004","70.754","0.007","71.591","0.005","840.3","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 B Li O7 -","- C16 H20 B Li O7 -","- C32 H40 B2 Li2 O14 -","2","1","","Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs","Structural Features of Lithium Organoborates","Crystal Growth & Design","2002","2","2","111","","10.1021/cg010035q","","","0.71073","MoKα","","0.0666","0.0534","","","0.1381","0.1478","","","","","","1.044","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511665","8.874","0.002","17.329","0.006","14.646","0.004","90","","92.775","0.004","90","","2249.6","1.1","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H24 B Li O8 -","- C22 H24 B Li O8 -","- C88 H96 B4 Li4 O32 -","4","1","","Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs","Structural Features of Lithium Organoborates","Crystal Growth & Design","2002","2","2","111","","10.1021/cg010035q","","","0.71073","MoKα","","0.0835","0.0619","","","0.1525","0.1735","","","","","","1.037","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511666","8.7941","0.0017","9.9647","0.0019","11.84","0.002","105.778","0.003","92.193","0.004","112.421","0.003","911.1","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 B Li N4 O6 -","- C18 H14 B Li N2 O6 -","- C36 H28 B2 Li2 N4 O12 -","2","1","","Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs","Structural Features of Lithium Organoborates","Crystal Growth & Design","2002","2","2","111","","10.1021/cg010035q","","","0.71073","MoKα","","0.0849","0.0659","","","0.2436","0.2517","","","","","","1.632","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4513623","5.8135","","5.8135","","8.2804","","90","","90","","90","","279.851","","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","Na K La Nb O5","","- K La Na Nb O5 -","- K La Na Nb O5 -","- K2 La2 Na2 Nb2 O10 -","2","0.125","","Liao, J.-H.; Tsai, M.-C.","Synthesis and crystal growth of two novel layered structures, Na K La Nb O5 and Na2 K2 Gd4 Nb2 O18, in molten hydroxide salts","Crystal Growth and Design","2002","2","","83","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""