# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-07T09:30:42+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 Structure Report Archive') 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
"1519110","6.4649","0.0004","7.6187","0.0004","21.2897","0.0013","90","","90","","90","","1048.61","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H0 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Tizzard, G; Threlfall, T; Ling, S; Coles, S","(E)-2,4,5-trifluoro-N-(4-fluorobenzylidene)aniline","Crystal Structure Report Archive","2011","","","1424","","","","","0.71073","MoKα","","0.0877","0.0541","","","0.1319","0.1728","","","","","","0.668","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519111","7.2921","0.0015","8.0475","0.0016","26.378","0.005","90","","90","","90","","1547.9","0.5","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","1","","Wood, Kenneth J; Fronckowiak, M; Duax, William L; Hursthouse, Michael B.; Lamond, Steven J.; Surplice, Luke","19-nor-4-androstene-3,17-dione","Crystal Structure Report Archive","1987","","","1231","","","","","0.71073","MoKα","","0.1015","0.0967","","","0.4215","0.4262","","","","","","2.266","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519112","10.543","0.002","13.847","0.003","13.499","0.002","90","","102.69","0.01","90","","1922.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H30 Cl2 Pt2 S2 -","- C11 H30 Cl2 Pt2 S2 -","- C44 H120 Cl8 Pt8 S8 -","4","1","","Abel, Edward W.; Mazid, Muhammed A.; Hursthouse, Michael B.","90MZ11 - C11H30cl2Pt2S2","Crystal Structure Report Archive","1990","","","1016","","","","","0.71073","MoKα","","0.1188","0.0929","","","0.2261","0.2409","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519113","12.031","0.001","12.11","0.002","13.98","0.003","90.51","0.01","110.79","0.02","91.04","0.01","1903.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H30 B12 N -","- C11 H30 B12 N -","- C44 H120 B48 N4 -","4","2","","Morris, John N.; Harman, Mary; Hursthouse, Michael B.","90MH25 - C11H26NB11F","Crystal Structure Report Archive","1991","","","1028","","","","","0.71069","MoKα","","0.1475","0.1185","","","0.3196","0.3484","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519114","19.6605","0.0004","9.7889","0.0003","25.6319","0.0007","90","","92.613","0.003","90","","4927.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C256 H208 N16 O16 -","16","4","","Osborne, Alan G.; Mazid, Muhammed A.; Hursthouse, Michael B.","90MZ17 - C16H13NO","Crystal Structure Report Archive","1991","","","1029","","","","","0.71069","MoKα","","0.1331","0.0782","","","0.2028","0.2418","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519115","11.032","0.002","21.135","0.004","17.97","0.003","90","","101.05","","90","","4112.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 B12 Cl2 N P2 -","- C37 H43 B12 Cl2 N P2 -","- C148 H172 B48 Cl8 N4 P8 -","4","1","","Morris, John N.; Harman, Mary; Hursthouse, Michael B.","91MH29 - C41H50NP2SB11","Crystal Structure Report Archive","1991","","","1031","","","","","0.71069","MoKα","","0.1447","0.1013","","","0.2747","0.3036","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519116","8.64","0.001","9.94","0.003","14.473","0.005","72.98","0.05","80.27","0.02","73.73","0.03","1135.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 N12 S6 -","- C48 H30 N12 S6 -","- C48 H30 N12 S6 -","1","0.5","","Bryce, Martin R.; Mazid, Muhammed A.; Hursthouse, Michael B.; Lamond, Steven J.","90MZ09 - [C6H9S3][C12H4N4]1.5","Crystal Structure Report Archive","1990","","","1046","","","","","0.71069","MoKα","","0.0593","0.0593","","","0.2185","0.2185","","","","","","1.504","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519117","8.27","0.005","8.87","0.004","13.05","0.009","81.84","0.03","84.41","0.03","78.71","0.01","926.9","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O6 -","- C21 H22 O6 -","- C42 H44 O12 -","2","1","","Ward, Robert S.; Harman, Mary; Hursthouse, Michael B.","C21H22O6","Crystal Structure Report Archive","1992","","","1022","","","","","0.71069","MoKα","","0.093","0.0425","","","0.0806","0.1216","","","","","","0.446","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519118","7.351","0.004","13.523","0.003","17.741","0.004","68.88","0.02","79.671","0.011","82.341","0.018","1613.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Cl2 N O4 -","- C15 H18 Cl2 N O4 -","- C60 H72 Cl8 N4 O16 -","4","2","","Baird, Mark S.; Hursthouse, Michael B.","C15H18Cl2NO4","Crystal Structure Report Archive","1992","","","1182","","","","","0.71069","MoKα","","0.2029","0.0354","","","0.084","0.2518","","","","","","0.393","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519119","11.465","0.003","11.129","0.002","20.95","0.002","90","","105.335","0.005","90","","2577.9","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 As I2 N O3 W -","- C24 H20 As I2 N O3 W -","- C96 H80 As4 I8 N4 O12 W4 -","4","1","","Baker, Paul K.; Hursthouse, Michael B.","C24H20AsI2NO3W","Crystal Structure Report Archive","1992","","","1184","","","","","0.71069","MoKα","","0.0523","0.0474","","","0.1241","0.1284","","","","","","0.824","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519120","8.397","0.003","27.42","0.008","10.898","0.004","90","","96.92","0.01","90","","2490.9","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl2 N4 O8 Pt -","- C22 H18 Cl2 N4 O8 Pt -","- C88 H72 Cl8 N16 O32 Pt4 -","4","1","","Gillard, Robert D.; Ullah, S.M. Bashir; Malik, K.M. Abdul; Hursthouse, Michael B.; Lamond, Steven J.","[Pt(C22H22N4)]2(ClO4)","Crystal Structure Report Archive","1992","","","865","","","","","0.71069","MoKα","","0.0331","0.0331","","","0.1051","0.1051","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519121","9.7","","10.47","","16.58","","90","","92.55","","90","","1682.18","","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Ward, Robert S.; Harman, Mary; Hursthouse, Michael B.","C20H20O5","Crystal Structure Report Archive","1992","","","1021","","","","","0.71069","MoKα","","0.0589","0.0434","","","0.0986","0.1158","","","","","","0.484","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519122","8.397","0.003","27.42","0.008","10.898","0.004","90","","96.92","0.01","90","","2490.9","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl2 N4 O8 Pt -","- C22 H18 Cl2 N4 O8 Pt -","- C88 H72 Cl8 N16 O32 Pt4 -","4","1","","Gillard, Robert D.; Ullah, S.M. Bashir; Malik, K.M. Abdul; Hursthouse, Michael B.; Lamond, Steven J.","[Pt(C22H22N4)]2(ClO4)","Crystal Structure Report Archive","1992","","","866","","","","","0.71069","MoKα","","0.0331","0.0331","","","0.1051","0.1051","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519123","13.876","0.009","14.172","0.009","27.722","0.005","90","","103.83","0.01","90","","5294","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 N4 O8 Pt -","- C22 H22 Cl2 N4 O7.2 Pt -","- C176 H176 Cl16 N32 O57.6 Pt8 -","8","2","","Gillard, Robert D.; Ullah, S.M. Bashir; Malik, K.M. Abdul; Hursthouse, Michael B.; Lamond, Steven J.; Coles, Simon J.","[Pt(C22H18N4)]2(ClO4)","Crystal Structure Report Archive","1992","","","867","","","","","0.71069","MoKα","","0.0496","0.0496","","","0.1436","0.1436","","","","","","1.527","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519124","9.896","0.004","13.479","0.0015","11.635","0.0007","90","","111.423","0.01","90","","1444.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 N4 O3 S2 W -","- C11 H6 N4 O3 S2 W -","- C44 H24 N16 O12 S8 W4 -","4","1","","Baker, P; Hursthouse, Michael B.","C11H6S2N4O3W","Crystal Structure Report Archive","1993","","","1019","","","","","0.71069","MoKα","","0.0832","0.0778","","","0.2017","0.2078","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519125","10.543","0.0003","16.315","0.0007","18.895","0.0008","90","","90","","90","","3250.1","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 As I2 N O3 W -","- C28 H20 As I2 N O3 W -","- C112 H80 As4 I8 N4 O12 W4 -","4","1","","Baker, P; Hursthouse, Michael B.","C28H20NO3I2AsW","Crystal Structure Report Archive","1993","","","1023","","","","","0.71069","MoKα","","0.0583","0.0438","","","0.1246","0.1433","","","","","","0.495","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519126","7.9919","0.0004","22.982","0.006","8.845","0.003","90","","90","","90","","1624.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl O8 -","- C13 H19 Cl O8 -","- C52 H76 Cl4 O32 -","4","1","","Sawden, Janette; Hursthouse, Michael B.","C13H19ClO8","Crystal Structure Report Archive","1993","","","1183","","","","","0.71069","MoKα","","0.0409","0.0316","","","0.0763","0.09","","","","","","0.406","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519127","26.129","0.009","12.714","0.005","28.369","0.007","90","","116.96","0.03","90","","8400","5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H38 F48 Gd4 O27 -","- C58 H26 F48 Gd4 O27 -","- C232 H104 F192 Gd16 O108 -","4","0.5","","Underhill, Allan E.; Hursthouse, Michael B.; Malik, K.M. Abdul","C40H18F48Gd4O26, 3(C6H6), H2O","Crystal Structure Report Archive","1993","","","1185","","","","","0.71069","MoKα","","0.0787","0.0401","","","0.1054","0.154","","","","","","0.462","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519128","8.532","0.0017","26.226","0.005","13.132","0.003","90","","96.29","0.03","90","","2920.7","1.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 I2 N O3 Sb W -","- C24 H20 Cl2 I2 N O3 Sb W -","- C96 H80 Cl8 I8 N4 O12 Sb4 W4 -","4","1","","Baker, Paul K.; Hursthouse, Michael B.; Lamond, Steven J.","C23H18I2NO3SbW, CH2Cl2","Crystal Structure Report Archive","1993","","","1186","","","","","0.71073","MoKα","","0.0449","0.0367","","","0.0905","0.1013","","","","","","0.559","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519129","12.075","0.006","15.42","0.002","15.571","0.004","90","","99.36","0.02","90","","2860.7","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H44 Si4 Zr -","- C22 H42 Si4 Zr -","- C88 H168 Si16 Zr4 -","4","1","","Bochmann, Manfred; Mazid, Muhammed A.; Hursthouse, Michael B.","C22H44Si4Zr","Crystal Structure Report Archive","1993","","","1187","","","","","0.71069","MoKα","","0.1298","0.0539","","0.1967","","0.119","","","0.487","","","0.53","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519130","7.815","0.003","13.839","0.005","18.475","0.003","90","","90","","90","","1998.1","1.1","293","2","293","2","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C17 H10 I2 N2 O3 W -","- C17 H10 I2 N2 O3 W -","- C68 H40 I8 N8 O12 W4 -","4","0.5","","Baker, Paul K.; Hursthouse, Michael B.","C17H10I2N2O3W","Crystal Structure Report Archive","1993","","","1188","","","","","0.71069","MoKα","","0.0377","0.0346","","","0.0865","0.0927","","","","","","0.54","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519131","14.7756","0.0008","14.178","0.003","7.7793","0.0011","90","","90","","90","","1629.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C14 H22 Br N O3 S -","- C14 H22 Br N O3 S -","- C56 H88 Br4 N4 O12 S4 -","4","1","","Ward, Robert S.; Hursthouse, Michael B.","C14H22BrNO3S","Crystal Structure Report Archive","1993","","","1189","","","","","0.71069","MoKα","","0.0621","0.0453","","","0.1065","0.1268","","","","","","0.577","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519132","11.456","0.007","10.938","0.002","20.2783","0.0016","90","","104.5","0.02","90","","2460.1","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 I2 N O3 P W -","- C23 H18 I2 N O3 P W -","- C92 H72 I8 N4 O12 P4 W4 -","4","1","","Baker, Paul K.; Hursthouse, Michael B.","C23H18I2NO3PW","Crystal Structure Report Archive","1993","","","1190","","","","","0.71069","MoKα","","0.0449","0.0404","","","0.1064","0.1114","","","","","","0.735","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519133","8.91","0.006","27.07","0.03","5.947","0.007","90","","101.01","0.16","90","","1408","3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 O4 -","- C14 H24 O4 -","- C56 H96 O16 -","4","1","","McCullough, Kevin J.; Hursthouse, Michael B.; Coles, Simon J.","(8S)-8-methoxyoxacyclotetradecane-2,13-dione","Crystal Structure Report Archive","1993","","","1192","","","","","0.71069","MoKα","","0.0885","0.05","","","0.1123","0.1558","","","","","","0.584","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519134","10.928","0.006","9.691","0.003","19.208","0.009","90","","93.89","0.03","90","","2029.5","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Fe I N2 -","- C22 H21 Fe I N2 -","- C88 H84 Fe4 I4 N8 -","4","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C22H21FeIN2","Crystal Structure Report Archive","1994","","","1018","","","","","0.71069","MoKα","","0.09","0.0406","","","0.0899","0.0989","","","","","","0.787","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519135","14.447","0.003","6.624","0.004","9.49","0.003","90","","108.59","0.02","90","","860.8","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br2 N O -","- C6 H7 Br2 N O -","- C24 H28 Br8 N4 O4 -","4","1","","Baird, Mark S.; Malik, K.M. Abdul; Hursthouse, Michael B.; Hibbs, Dai E.; Lamond, Steven J.","(2R)-[(1S)-2,2-dibromo-1-methylcyclopropyl](hydroxy)ethanenitrile","Crystal Structure Report Archive","1994","","","1036","","","","","0.71073","MoKα","","0.0532","0.0391","","","0.0931","0.1006","","","","","","0.763","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519136","11.289","0.007","12.891","0.008","14.531","0.008","95.06","0.04","95.64","0.05","105.5","0.03","2013","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H38 B F15 Hf Si2 -","- C39 H38 B F15 Hf Si2 -","- C78 H76 B2 F30 Hf2 Si4 -","2","1","","Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.","C13H27HfSi2, C19H3BF15, C7H8","Crystal Structure Report Archive","1994","","","1200","","","","","0.71069","MoKα","","0.0451","0.0396","","","0.0958","0.0971","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519137","27.788","0.004","10.768","0.007","17.471","0.006","90","","95.14","0.03","90","","5207","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Fe -","- C38 H26 Fe -","- C304 H208 Fe8 -","8","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C38H26Fe","Crystal Structure Report Archive","1994","","","1201","","","","","0.71069","MoKα","","0.0921","0.0485","","","0.1031","0.1097","","","","","","0.83","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519138","16.051","0.0008","5.559","0.0008","30.98","0.009","90","","96.99","0.02","90","","2743.7","0.9","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cl O7 -","- C14 H9 Cl O7 -","- C112 H72 Cl8 O56 -","8","1","","Roberts, Stan. M.; Hibbs, Dai. E.; Hursthouse, Michael B.; Lamond, Steven J.","C14H9ClO7","Crystal Structure Report Archive","1994","","","821","","","","","0.71073","MoKα","","0.1208","0.0859","","","0.2277","0.2499","","","","","","0.987","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519139","7.526","0.002","14.221","0.001","17.276","0.003","90","","92.34","0.02","90","","1847.5","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Fe N2 O4 -","- C22 H16 Fe N2 O4 -","- C88 H64 Fe4 N8 O16 -","4","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C22H16FeN2O4","Crystal Structure Report Archive","1994","","","1034","","","","","0.71069","MoKα","","0.0991","0.0528","","","0.1299","0.1685","","","","","","0.342","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519140","15.815","0.005","11.848","0.008","16.041","0.005","90","","90.565","0.018","90","","3006","2","220","2","220","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H50 N2 P2 Se2 Zn -","- C22 H50 N2 P2 Se2 Zn -","- C88 H200 N8 P8 Se8 Zn4 -","4","1","","Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.","C22H50N2P2Se2Zn","Crystal Structure Report Archive","1994","","","1195","","","","","0.71069","MoKα","","0.052","0.0407","","","0.0955","0.0972","","","","","","0.964","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519141","16.209","0.012","11.871","0.012","15.901","0.007","90","","90.04","0.02","90","","3060","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Mn N2 P2 Te2 -","- C22 H50 Mn N2 P2 Te2 -","- C88 H200 Mn4 N8 P8 Te8 -","4","1","","Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.","C22H50MnN2P2Te2","Crystal Structure Report Archive","1994","","","1197","","","","","0.71069","MoKα","","0.1211","0.0883","","","0.2428","0.2586","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519142","10.227","0.003","18.698","0.003","11.133","0.004","90","","93.41","0.04","90","","2125.1","1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H45 Cl3 N2 P Pd -","- C50 H45 Cl3 N2 P Pd -","- C100 H90 Cl6 N4 P2 Pd2 -","2","1","","Brown, Richard; Coles, Simon J.; Hursthouse, Michael B.","C49H43ClN2PPd, CH2Cl2","Crystal Structure Report Archive","1994","","","1198","","","","","0.71069","MoKα","","0.0432","0.0414","","","0.1077","0.1082","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519143","8.4576","0.0019","13.494","0.012","22.03","0.02","90","","99.48","0.08","90","","2480","3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 I2 O S3 W -","- C21 H24 I2 O S3 W -","- C84 H96 I8 O4 S12 W4 -","4","1","","Baker, Paul K.; Coles, Simon J.; Hursthouse, Michael B.","C21H24I2OS3W","Crystal Structure Report Archive","1994","","","1199","","","","","0.71069","MoKα","","0.0599","0.0347","","","0.0692","0.0731","","","","","","0.776","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519144","12.3174","0.0018","12.9617","0.0009","14.791","0.003","90","","107.619","0.015","90","","2250.7","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl2 Fe Pd S4 -","- C20 H22 Cl2 Fe Pd S4 -","- C80 H88 Cl8 Fe4 Pd4 S16 -","4","1","","Butler, Ian R.; Coles, Simon J.; Malik, K.M. Abdul; Hursthouse, Michael B.","C20H22Cl2FePdS4","Crystal Structure Report Archive","1994","","","1017","","","","","0.71069","MoKα","","0.0379","0.033","","","0.0805","0.0814","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519145","10.127","0.002","12.575","0.002","17.633","0.002","90","","90.223","0.007","90","","2245.5","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H68 B2 N12 Ni -","- C42 H68 B2 N12 Ni -","- C84 H136 B4 N24 Ni2 -","2","0.5","","McCleverty, Jon A.; Coles, Simon J.; Hursthouse, Michael B.","C42H68B2N12Ni","Crystal Structure Report Archive","1994","","","1033","","","","","0.71069","MoKα","","0.0769","0.0435","","","0.0846","0.0897","","","","","","0.921","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519146","13.114","0.002","13.235","0.003","22.903","0.001","96.18","0.03","96.19","0.01","113.35","0.02","3578.7","1.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H82 B2 Cl6 Co N12 -","- C74 H82 B2 Cl6 Co N12 -","- C148 H164 B4 Cl12 Co2 N24 -","2","1","","McCleverty, Jon A.; Coles, Simon J.; Malik, K.M. Abdul; Hursthouse, Michael B.; Lamond, Steven J.","C74H81B2Cl6CoN12","Crystal Structure Report Archive","1994","","","1035","","","","","0.71069","MoKα","","0.098","0.0634","","","0.1472","0.1644","","","","","","0.939","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519147","8.813","0.007","15.0422","0.0005","31.232","0.01","90","","90","","90","","4140","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cl2 N P Se Ti -","- C16 H30 Cl2 N P Se Ti -","- C128 H240 Cl16 N8 P8 Se8 Ti8 -","8","1","","Bochmann, Manfred; Hursthouse, Michael B.; Coles, Simon J.","C16H30Cl2NPSeTi","Crystal Structure Report Archive","1994","","","1191","","","","","0.71069","MoKα","","0.1173","0.0495","","","0.1003","0.1094","","","","","","0.813","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519148","20.314","0.007","17.215","0.007","20.601","0.007","90","","116.05","0.03","90","","6472","4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 B Mo N7 O3 -","- C29 H46 B Mo N7 O3 -","- C232 H368 B8 Mo8 N56 O24 -","8","2","","McCleverty, Jon A.; Hursthouse, Michael B.","C29H46BMoN7O3","Crystal Structure Report Archive","1994","","","1193","","","","","0.71069","MoKα","","0.1204","0.052","","","0.1087","0.1228","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519149","9.697","0.003","10.0628","0.0013","13.213","0.002","105.157","0.014","97.17","0.02","112.543","0.009","1112.1","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.5 H46 Cl2 Fe2 O3 P2 Pd -","- C45.5 H46 Cl2 Fe2 O3 P2 Pd -","- C45.5 H46 Cl2 Fe2 O3 P2 Pd -","1","0.5","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C45.5H46Cl2Fe2O3P2Pd","Crystal Structure Report Archive","1994","","","1194","","","","","0.71069","MoKα","","0.053","0.0514","","","0.156","0.1579","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519150","13.233","0.007","17.2161","0.001","35.163","0.011","90","","90","","90","","8011","5","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H66 Cl2 N2 P2 Se2 Ti -","- C35 H66 Cl2 N2 P2 Se2 Ti -","- C280 H528 Cl16 N16 P16 Se16 Ti8 -","8","1","","Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.","C28H58Cl2N2P2Se2Ti, C7H8","Crystal Structure Report Archive","1994","","","1196","","","","","0.71069","MoKα","","0.0763","0.0433","","","0.088","0.0959","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519151","11.336","0.009","12.996","0.003","11.379","0.002","90","","108.85","0.04","90","","1586.5","1.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","McCalman, Lesley; Hibbs, Dai. E.; Hursthouse, Michael B.; Lamond, Steven J.","C9H10O3","Crystal Structure Report Archive","1994","","","818","","","","","0.71069","MoKα","","0.0938","0.0456","","","0.0933","0.1073","","","","","","0.898","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519152","9.891","0.003","10.667","0.003","22.197","0.006","101.544","0.013","91.41","0.02","99.83","0.02","2256.7","1.1","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H49 B F15 Mo -","- C48 H49 B F15 Mo -","- C96 H98 B2 F30 Mo2 -","2","1","","Green, S. J.; Coles, Simon J.; Malik, K.M. Abdul; Hursthouse, Michael B.","C46H49BF15Mo","Crystal Structure Report Archive","1995","","","1037","","","","","0.71069","MoKα","","0.0791","0.0535","","","0.1381","0.1331","","","","","","0.914","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519153","12.353","0.003","12.392","0.004","18.1099","0.0016","83.286","0.014","82.649","0.014","74.12","0.012","2634.8","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H76 Co2 O18 P6 Zr -","- C36 H76 Co2 O18 P6 Zr -","- C72 H152 Co4 O36 P12 Zr2 -","2","1","","Green, Malcolm L.H.; Coles, Simon J.; Hursthouse, Michael B","C36H76Co2O18P6Zr","Crystal Structure Report Archive","1995","","","1203","","","","","0.71069","MoKα","","0.1038","0.057","","","0.1094","0.1201","","","","","","0.749","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1519154","11.732","0.003","16.0425","0.0015","12.2877","0.0013","90","","113.566","0.01","90","","2119.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Fe N2 O4 W -","- C24 H16 Fe N2 O4 W -","- C96 H64 Fe4 N8 O16 W4 -","4","1","","Butler, I. R.; Coles, Simon J.; Hursthouse, Michael B.","C24H16FeN2O4W","Crystal Structure Report Archive","1995","","","755","","","","","0.71069","MoKα","","0.0439","0.0354","","0.0852","0.0833","","","","1.023","1.106","1.106","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519155","12.779","0.003","13.0204","0.0015","12.8041","0.0013","90","","94.119","0.01","90","","2124.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cr Fe N2 O4 -","- C24 H16 Cr Fe N2 O4 -","- C96 H64 Cr4 Fe4 N8 O16 -","4","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C24H16CrFeN2O4","Crystal Structure Report Archive","1995","","","756","","","","","0.71069","MoKα","","0.0475","0.0396","","0.0956","0.0943","","","","1.016","1.11","1.11","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519156","7.6828","0.001","9.495","0.0014","14.642","0.0013","99.18","0.009","93.392","0.005","90.311","0.009","1052.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H29 Br2 Fe2 P -","- C23 H24 Br2 Fe2 P -","- C46 H48 Br4 Fe4 P2 -","2","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C23H23Br2Fe2P","Crystal Structure Report Archive","1995","","","757","","","","","0.71069","MoKα","","0.0799","0.0687","","0.1962","0.1805","","","","1.043","1.131","1.131","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519157","15.946","0.012","12.558","0.008","19.752","0.002","90","","107.573","0.013","90","","3771","4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 B10 Cu P2 -","- C36 H43 B10 Cu P2 -","- C144 H172 B40 Cu4 P8 -","4","1","","Leach, J.B.; Coles, Simon J.; Hursthouse, Michael B.","C36H43B10CuP2","Crystal Structure Report Archive","1995","","","758","","","","","0.71069","MoKα","","0.0669","0.0466","","0.1114","","0.1047","","","0.939","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519158","12.839","0.004","12.9785","0.001","12.9803","0.0015","90","","95.693","0.01","90","","2152.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Fe Mo N2 O4 -","- C24 H16 Fe Mo N2 O4 -","- C96 H64 Fe4 Mo4 N8 O16 -","4","1","","Butler, Ian. R.; Hursthouse, Michael B.; Coles, Simon J.","C24H16FeMoN2O4","Crystal Structure Report Archive","1995","","","800","","","","","0.71069","MoKα","","0.0751","0.0409","","0.0872","0.0772","","","","0.76","0.924","0.924","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519163","16.858","0.017","15.233","0.004","17.784","0.009","90","","99.6","0.03","90","","4503","5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 Co N3 P3 S3 -","- C48 H51 Co N3 P3 S3 -","- C192 H204 Co4 N12 P12 S12 -","4","1","","Dilworth, Jon R.; Coles, Simon J.; Hursthouse, Michael B.","C48H51CoN3P3S3","Crystal Structure Report Archive","1996","","","1204","","","","","0.71069","MoKα","","0.2091","0.0512","","","0.0835","0.1101","","","","","","0.482","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519164","7.9894","0.0012","14.1019","0.0019","14.478","0.002","96.289","0.008","89.803","0.006","97.961","0.009","1605.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl4 Ni2 O2 P2 -","- C28 H26 Cl4 Ni2 O2 P2 -","- C56 H52 Cl8 Ni4 O4 P4 -","2","1","","Kelly, Dave G.; Coles, Simon J.; Hursthouse, Michael B.","C28H26Cl4Ni2O2P2","Crystal Structure Report Archive","1996","","","1205","","","","","0.71069","MoKα","","0.0963","0.0821","","","0.2449","0.2566","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1519165","16.249","0.005","10.8064","0.001","21.254","0.005","90","","105.93","0.02","90","","3588.7","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cd I4 N6 O4 -","- C26 H38 Cd I4 N6 O4 -","- C104 H152 Cd4 I16 N24 O16 -","4","1","","Kurmoo, Mohamed; Coles, Simon J.; Hursthouse, Michael B.","C26H38CdI4N6O4","Crystal Structure Report Archive","1996","","","759","","","","","0.71069","MoKα","","0.0891","0.0334","","0.0909","0.0644","","","","0.541","0.705","0.705","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519166","8.6164","0.0004","18.419","0.002","8.7071","0.0007","90","","101.283","0.011","90","","1355.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Fe P2 -","- C34 H28 Fe P2 -","- C68 H56 Fe2 P4 -","2","0.5","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C34H28FeP2","Crystal Structure Report Archive","1996","","","760","","","","","0.71069","MoKα","","0.0706","0.0457","","0.1176","0.0992","","","","0.909","1.058","1.058","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519167","9.77","0.003","18.093","0.005","19.001","0.003","90","","102.61","0.02","90","","3277.8","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl4 Fe P2 Pd -","- C35 H28 Cl4 Fe P2 Pd -","- C140 H112 Cl16 Fe4 P8 Pd4 -","4","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C34H28Cl2FeP2Pd.CH2Cl2","Crystal Structure Report Archive","1996","","","761","","","","","0.71069","MoKα","","0.0596","0.046","","0.116","0.1056","","","","1.008","1.105","1.105","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519168","10.539","0.021","11.209","0.024","16.58","0.004","74.9","0.05","77.5","0.07","72.15","0.05","1780","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H22 Cl2 I3 Mo N O3 P -","- C31 H22 Cl2 I3 Mo N O3 P -","- C62 H44 Cl4 I6 Mo2 N2 O6 P2 -","2","1","","Baker; Coles, Simon J.; Hursthouse, Michael B.","C31H22Cl2I3MoNO3P","Crystal Structure Report Archive","1996","","","762","","","","","0.71069","MoKα","","0.0804","0.0562","","0.1445","0.1324","","","","0.93","1.111","1.111","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519169","14.6453","0.0015","5.8392","0.0007","19.602","0.002","90","","99.978","0.007","90","","1650.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 S5 -","- C17 H10 S5 -","- C68 H40 S20 -","4","1","","Underhill, Allan E.; Coles, Simon J.; Hursthouse, Michael B.","C17H10S5","Crystal Structure Report Archive","1996","","","763","","","","","0.71069","MoKα","","0.0715","0.0424","","0.0922","0.0882","","","","0.859","1.056","1.056","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519170","9.939","0.002","11.4042","0.001","12.063","0.009","66.46","0.02","66.861","0.01","74.49","0.02","1142.7","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 Fe2 S5 -","- C25 H18 Fe2 S5 -","- C50 H36 Fe4 S10 -","2","1","","Underhill, Allan E.; Coles, Simon J.; Hursthouse, Michael B.","C25H18Fe2S5","Crystal Structure Report Archive","1996","","","764","","","","","0.71069","MoKα","","0.0408","0.0352","","0.0851","0.0827","","","","0.998","1.049","1.049","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519171","15.6","0.002","10.877","0.001","13.193","0.005","90","","90","","90","","2238.6","0.9","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H20 Fe2 S5 -","- C25 H20 Fe2 S5 -","- C100 H80 Fe8 S20 -","4","0.5","","Underhill, Allan E.; Hibbs, Dai E.; Hursthouse, Michael B.","C25H20Fe2S5","Crystal Structure Report Archive","1996","","","790","","","","","0.71069","MoKα","","0.0597","0.0366","","0.064","0.0607","","","","0.975","1.092","1.092","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519172","13.958","0.003","7.246","0.0013","32.562","0.002","90","","98.7","0.02","90","","3255.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F6 N O4 P -","- C11 H18 F6 N O4 P -","- C88 H144 F48 N8 O32 P8 -","8","2","","Orrell, Keith G.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J.","C22H36F12N2O8P2","Crystal Structure Report Archive","1996","","","793","","","","","0.71069","MoKα","","0.0841","0.0549","","","0.1323","0.1409","","","","","","0.942","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519173","8.913","0.005","13.389","0.008","14.059","0.008","89.53","0.04","73.95","0.03","77.08","0.03","1569","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H54 P4 -","- C30 H54 P4 -","- C60 H108 P8 -","2","1","","Cameron, James H.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J.","C30H54P4","Crystal Structure Report Archive","1996","","","794","","","","","0.71069","MoKα","","0.1586","0.0653","","","0.0956","0.133","","","","","","0.663","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519174","7.93","0.001","8.717","0.0006","11.655","0.001","75.19","0.008","78.74","0.009","89.93","0.007","762.9","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Tebby, John C.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J.","C18H19NO2","Crystal Structure Report Archive","1996","","","796","","","","","0.71073","MoKα","","0.0617","0.0422","","","0.0953","0.1014","","","","","","0.909","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519175","10.89","0.001","11.065","0.003","12.876","0.001","64.61","0.003","68.14","0.01","79.9","0.008","1300.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 O3 S -","- C31 H28 O3 S -","- C62 H56 O6 S2 -","2","1","","Hepworth, John D.; Gabbutt, Chris D.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J.","C31H28O3S","Crystal Structure Report Archive","1996","","","797","","","","","0.71069","MoKα","","0.056","0.04","","","0.0882","0.0935","","","","","","0.908","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519176","14.307","0.0009","5.686","0.002","12.042","0.0014","90","","122.31","0.002","90","","827.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Er H6 O6 P3 -","- Er H6 O6 P3 -","- Er4 H24 O24 P12 -","4","0.5","","Kresinski, Roman.A.; Hibbs, Dai. E.; Hursthouse, Michael B.; Lamond, Steven J.","ErH6P3O6","Crystal Structure Report Archive","1996","","","820","","","","","0.71069","MoKα","","0.0464","0.0358","","","0.0853","0.0877","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519177","7.594","0.003","15.177","0.0012","31.13","0.02","90","","90","","90","","3588","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cl Fe O2 -","- C24 H1.61 Cl Fe O2 -","- C192 H12.88 Cl8 Fe8 O16 -","8","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C25H15ClFeO2","Crystal Structure Report Archive","1997","","","1039","","","","","0.71069","MoKα","","0.3225","0.0375","","","0.0572","0.106","","","","","","0.465","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519178","22.689","","10.283","","6.571","","90","","90","","90","","1533.09","","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Hibbs, D. E.; Hursthouse, Michael B.; Coles, Simon J.; Barkley, J. V.; Roberts, S. M.; Gregory, R. J. H.","7-Chloro-6-cyano-6-hydroxybicyclo(3.2.0)hept-2-ene","Crystal Structure Report Archive","1997","","","104","","","","","0.71069","MoKα","","0.1023","0.0474","","0.1028","0.0918","","","","0.64","0.917","0.917","","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519179","6.09","0.001","8.114","0.002","18.467","0.004","101.11","0.03","95.3","0.03","106.29","0.03","849","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Br N O2 Si -","- C14 H24 Br N O2 Si -","- C28 H48 Br2 N2 O4 Si2 -","2","1","","Roberts, S. M.; Hursthouse, Michael B.; Coles, Simon J.; Barkley, J. V.; Gregory, R. J. H.; Hibbs, D. E.","2-Bromo-3-hydroxy-6-cyano-6-(t-butyldimethylsiloxy)bicyclo(3.2.0)heptane","Crystal Structure Report Archive","1997","","","105","","","","","0.71069","MoKα","","0.0515","0.0343","","0.0671","0.0643","","","","0.73","0.843","0.843","","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519180","7.23","0.001","15.594","0.003","19.618","0.004","90","","90","","90","","2211.8","0.7","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cl2 N4 -","- C10 H8 Cl2 N4 -","- C80 H64 Cl16 N32 -","8","1","","Blake, Alexander J.; Light, Mark E.; Hursthouse, Michael B.","C10H8Cl2N4","Crystal Structure Report Archive","1997","","","1206","","","","","0.71073","MoKα","","0.0815","0.0443","","","0.1025","0.1083","","","","","","0.903","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519181","7.594","0.003","15.177","0.0012","31.134","0.016","90","","90","","90","","3588","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cl Fe O2 -","- C24 H15 Cl Fe O2 -","- C192 H120 Cl8 Fe8 O16 -","8","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C24H15ClFeO2","Crystal Structure Report Archive","1997","","","1016","","","","","0.71069","MoKα","","0.3233","0.0375","","","0.0572","0.103","","","","","","0.465","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519182","11.817","0.002","5.983","0.0008","31.689","0.01","90","","97.34","0.04","90","","2222.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Hg N2 S4 -","- C14 H8 Hg N2 S4 -","- C84 H48 Hg6 N12 S24 -","6","1.5","","Sammon, C.; Raper, E. S.; Mansor, R.; Hursthouse, Michael B.; Hibbs, D. E.; Constable, C. P.; Coles, Simon J.; Bell, N. A.","bis(1,3-Benzothiazole-2-thiolato-S)-mercury(ii)","Crystal Structure Report Archive","1997","","","225","","","","","0.71069","MoKα","","0.0638","0.0459","","0.0997","0.0964","","","","0.94","1.038","1.038","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519183","10.7966","0.0008","17.6155","0.0006","17.888","0.005","90","","90","","90","","3402.1","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Fe -","- C24 H18 Fe -","- C192 H144 Fe8 -","8","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C24H18Fe","Crystal Structure Report Archive","1997","","","765","","","","","0.71069","MoKα","","0.121","0.033","","0.0662","0.0501","","","","0.562","0.781","0.781","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519184","10.655","0.004","12.3456","0.0006","14.319","0.002","90","","103.142","0.011","90","","1834.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br Fe Mo O6 -","- C17 H11 Br Fe Mo O6 -","- C68 H44 Br4 Fe4 Mo4 O24 -","4","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C17H11BrFeMoO6","Crystal Structure Report Archive","1997","","","766","","","","","0.71069","MoKα","","0.0586","0.0448","","0.1471","0.123","","","","0.912","1.023","1.023","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519185","8.028","0.003","10.396","0.002","24.955","0.002","90","","90","","90","","2082.7","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br N O -","- C26 H26 Br N O -","- C104 H104 Br4 N4 O4 -","4","1","","Pelter, Andy; Hibbs, Dai E.; Hursthouse, Michael B","C26H26BrNO","Crystal Structure Report Archive","1997","","","791","","","","","0.71069","MoKα","","0.1004","0.0327","","0.0584","0.0468","","","","0.47","0.654","0.654","","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519186","7.52","0.005","13.984","0.004","21.53","0.002","102.71","0.03","93.44","0.08","94.76","0.02","2193.8","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O8 -","- C28 H20 O8 -","- C112 H80 O32 -","4","2","","Gabbut, C.D.; Hepworth, John D.; Hibbs, Dai. E.; Hursthouse, Michael B.; Lamond, Steven J.","C28H20O8","Crystal Structure Report Archive","1997","","","792","","","","","0.71069","MoKα","","0.141","0.0485","","","0.0723","0.1039","","","","","","0.523","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519187","7.5921","0.0011","14.9902","0.0009","15.372","0.002","90","","90","","90","","1749.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Fe N2 -","- C22 H18 Fe N2 -","- C88 H72 Fe4 N8 -","4","1","","Tucker, J. H. R.; Hursthouse, Michael B.; Coles, Simon J.; Carr, J. D.","1-(2,2-bis(Pyrid-2-yl)ethenyl)ferrocene","Crystal Structure Report Archive","1997","","","90","","","","","0.71069","MoKα","","0.0541","0.0422","","0.0962","0.0937","","","","0.887","0.994","0.994","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519188","7.623","0.001","8.951","0.001","10.914","0.002","82.76","0.01","73.33","0.006","80.54","0.02","701.24","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Br2 Hg N2 S4 -","- C6 H10 Br2 Hg N2 S4 -","- C12 H20 Br4 Hg2 N4 S8 -","2","1","","Sammon, C.; Raper, E. S.; Mansor, R.; Hursthouse, Michael B.; Hibbs, D. E.; Constable, C. P.; Coles, Simon J.; Bell, N. A.","Dibromo-bis(1,3-thiazolidine-2-thione)-mercury(ii)","Crystal Structure Report Archive","1997","","","96","","","","","0.71069","MoKα","","0.0396","0.0372","","0.1008","0.1001","","","","1.035","1.081","1.081","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519189","11.817","0.002","5.983","0.0008","31.689","0.01","90","","97.34","0.04","90","","2222.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Hg N2 S4 -","- C14 H8 Hg N2 S4 -","- C84 H48 Hg6 N12 S24 -","6","1.5","","Sammon, C.; Raper, E. S.; Mansor, R.; Hibbs, D. E.; Constable, C. P.; Bell, N. A.; Coles, Simon J.; Hursthouse, Michael B.","bis(1,3-Benzothiazole-2-thiolato-S)-mercury(ii)","Crystal Structure Report Archive","1997","","","97","","","","","0.71069","MoKα","","0.0638","0.0459","","","0.0963","0.0996","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519191","8.869","0.002","8.915","0.002","9.962","0.002","90","","110.4","0.03","90","","738.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C24 H32 N8 O8 S4 -","4","1","","Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.; Ward, Suzanna C","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1998","","","158","","","","","0.71073","MoKα","","0.0349","0.0322","","","0.0874","0.0894","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519192","8.252","0.002","10.535","0.002","19.923","0.004","90","","99.17","0.03","90","","1709.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C68 H72 N16 O8 S4 -","4","1","","Threlfall, Terry L; Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C","4-Amino-N-pyridin-2-yl-benzenesulfonamide and 4-methyl-pyridine solvate","Crystal Structure Report Archive","1998","","","160","","","","","0.71073","MoKα","","0.0629","0.0435","","","0.115","0.1297","","","","","","0.88","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519193","12.567","0.0007","8.969","0.0013","21.549","0.002","90","","94.7","0.004","90","","2420.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cl N O -","- C31 H28 Cl N O -","- C124 H112 Cl4 N4 O4 -","4","1","","Pelter, Andy; Light, Mark E.; Hursthouse, Michael B.","C31H28ClNO","Crystal Structure Report Archive","1998","","","744","","","","","0.71073","MoKα","","0.1223","0.0604","","","0.1042","0.1248","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519194","13.543","0.0005","14.991","0.0009","16.009","0.001","90","","90","","90","","3250.2","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 Cl4 Fe N P2 Pd -","- C27 H47 Cl4 Fe N P2 Pd -","- C108 H188 Cl16 Fe4 N4 P8 Pd4 -","4","1","","Butler, Ian R.; Light, Mark E.; Hursthouse, Michael B.","C27H47Cl4FeNP2Pd","Crystal Structure Report Archive","1998","","","745","","","","","0.71073","MoKα","","0.073","0.0538","","","0.1009","0.1108","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519195","12.242","0.002","9.89","0.001","14.073","0.002","90","","97.89","0.02","90","","1687.7","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl3 -","- C19 H17 Cl3 -","- C76 H68 Cl12 -","4","1","","Baird, Mark S.; Light, Mark E.; Hursthouse, Michael B.","C19H17Cl3","Crystal Structure Report Archive","1998","","","746","","","","","0.71069","MoKα","","0.1011","0.0425","","","0.0947","0.1046","","","","","","0.633","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519196","19.348","0.004","9.607","0.002","30.063","0.006","90","","99.63","0.03","90","","5509","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 Br Fe O3 P2 Re -","- C25 H36 Br Fe O3 P2 Re -","- C200 H288 Br8 Fe8 O24 P16 Re8 -","8","1","","Butler, Ian R.; Light, Mark E.; Hursthouse, Michael B.","C25H36BrFeO3P2Re","Crystal Structure Report Archive","1998","","","747","","","","","0.71073","MoKα","","0.0748","0.0552","","","0.1352","0.1386","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519197","19.22","0.007","9.315","0.003","29.605","0.01","90","","99.71","0.009","90","","5224","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 Br Fe Mn O3 P2 -","- C25 H36 Br Fe Mn O3 P2 -","- C200 H288 Br8 Fe8 Mn8 O24 P16 -","8","1","","Butler, Ian R.; Light, Mark E.; Hursthouse, Michael B.","C50H72Br2Fe2Mn2O6P4","Crystal Structure Report Archive","1998","","","748","","","","","0.71069","MoKα","","0.1477","0.1044","","","0.2713","0.2982","","","","","","0.948","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1519198","15.6546","0.0004","12.8752","0.0004","11.5653","0.0006","90","","97.682","0.003","90","","2310.14","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N7 O5 -","- C22 H25 N7 O5 -","- C88 H100 N28 O20 -","4","1","","North, Michael; Light, Mark E.; Hursthouse, Michael B.","C22H25N7O5","Crystal Structure Report Archive","1998","","","749","","","","","0.71073","MoKα","","0.0977","0.0583","","","0.133","0.1529","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519199","28.5785","0.0004","17.9547","0.0003","22.7496","0.0003","90","","118.649","0.001","90","","10244.1","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 O6.5 -","- C58 H52 O6.5 -","- C464 H416 O52 -","8","1","","Heron, Mark (B.M.); Light, Mark E.; Hursthouse, Michael B.","C58H52O6.5","Crystal Structure Report Archive","1998","","","750","","","","","0.71073","MoKα","","0.0974","0.0803","","","0.2323","0.2553","","","","","","1.04","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519200","11.593","0.0007","12.059","0.0005","10.753","0.0007","90","","105.68","0.002","90","","1447.33","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C72 H48 S8 -","4","1","","Pelter, Andy; Light, Mark E.; Hursthouse, Michael B.","C18H12S2","Crystal Structure Report Archive","1998","","","753","","","","","0.71073","MoKα","","0.068","0.0557","","","0.1571","0.1673","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519201","13.275","0.003","10.233","0.002","17.999","0.004","90","","111.6","0.03","90","","2273.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br Fe1.5 Si -","- C27 H22 Br Fe1.5 Si -","- C108 H88 Br4 Fe6 Si4 -","4","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C27H22BrFe1.50Si","Crystal Structure Report Archive","1998","","","754","","","","","1.54178","CuKα","","0.1453","0.0833","","0.2543","0.2186","","","","0.965","1.206","1.206","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519202","9.419","0.002","15.687","0.003","22.166","0.005","90","","90","","90","","3275.2","1.2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C34 H28 Cl3 Fe O P2 Re -","- C34 H28 Cl3 Fe O P2 Re -","- C136 H112 Cl12 Fe4 O4 P8 Re4 -","4","0.5","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C34H28Cl3FeOP2Re","Crystal Structure Report Archive","1998","","","767","","","","","1.54178","CuKα","","0.0673","0.0534","","0.1589","0.1515","","","","1.06","1.16","1.16","","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519203","11.082","0.002","13.34","0.003","13.783","0.003","88.85","0.03","76.48","0.03","72.31","0.03","1884.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.6 H32 Cl2 Fe O1.4 P2 Pd -","- C35.6 H32 Cl2 Fe O1.4 P2 Pd -","- C71.2 H64 Cl4 Fe2 O2.8 P4 Pd2 -","2","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C35.6H32Cl2FeO1.4P2Pd","Crystal Structure Report Archive","1998","","","768","","","","","1.54178","CuKα","","0.0626","0.0514","","","0.1443","0.1517","","","","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519204","11.0393","0.0001","10.775","0.0001","27.2532","0.0004","90","","97.606","0.001","90","","3213.2","0.06","150","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Cl3 O2 Si Ti2 -","- C31 H43 Cl3 O2 Si Ti2 -","- C124 H172 Cl12 O8 Si4 Ti8 -","4","1","","Whitby, Richard J.; Coles, Simon J.; Hursthouse, Michael B.","C31H43Cl3O2SiTi2","Crystal Structure Report Archive","1998","","","770","","","","","0.6875","synchrotron","","0.0921","0.0534","","","0.131","0.1534","","","","","","0.926","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519205","10.661","0.002","11.852","0.002","13.501","0.003","76.85","0.03","81.35","0.03","72.12","0.03","1575","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C56 H84 N12 O12 S4 -","4","2","","Rossi, S.; Kilburn, J. D.; Hursthouse, Michael B.; Douheret, D.; Coles, Simon J.","t-Butyl-2-(2-(ethoxycarbothioylamino)-3-pyridyloxy)acetate","Crystal Structure Report Archive","1999","","","106","","","","","0.71073","MoKα","","0.0681","0.0522","","","0.1532","0.1652","","","","","","1.192","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519206","15.521","0.003","6.827","0.001","13.574","0.003","90","","100.06","0.03","90","","1416.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O3 S2 -","- C12 H14 N2 O3 S2 -","- C48 H56 N8 O12 S8 -","4","1","","Rossi, S.; Kilburn, J. D.; Hursthouse, Michael B.; Douheret, D.; Coles, Simon J.","t-Butyl-2-(3-thioxopyrido(2,1-c)(1,2,4)thiadiazol-8-yloxy)acetate","Crystal Structure Report Archive","1999","","","107","","","","","0.71073","MoKα","","0.0679","0.0393","","","0.1033","0.1218","","","","","","0.807","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519207","7.824","0.002","12.991","0.003","7.62","0.002","90","","104.97","0.03","90","","748.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C24 H32 N8 O8 S4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","169","","","","","0.71073","mokα","","0.0465","0.0359","","","0.0876","0.0926","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519208","14.6","0.003","5.572","0.001","18.483","0.004","90","","90","","90","","1503.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","170","","","","","0.71073","MoKα","","0.0426","0.0339","","","0.0892","0.0949","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519209","8.422","0.002","11.734","0.002","14.333","0.003","104.74","0.03","103.07","0.03","99.03","0.03","1299.3","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Acetoamidobenzenesulfonaminopyrazine","Acetoamidobenzenesulfonaminopyrazine","","- C12 H12 N4 O3 S -","- C12 H11 N4 O3 S -","- C48 H44 N16 O12 S4 -","4","2","","Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C; Hursthouse, Michael B.","N-[4-(1,4-Dihydro-pyrazin-2-ylsulfamoyl)-phenyl]-acetamide","Crystal Structure Report Archive","1999","","","171","","","","","0.71073","MoKα","","0.0551","0.0422","","","0.1075","0.1162","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519210","9.643","0.002","11.069","0.002","11.162","0.002","93.35","0.03","102.12","0.03","98.2","0.03","1148.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","benzenesulfonamido-5-chloropyridine","Benzenesulfonamido-5-chloropyridine","","- C11 H9 Cl N2 O2 S -","- C11 H9 Cl N2 O2 S -","- C44 H36 Cl4 N8 O8 S4 -","4","2","","Threlfall, Terry L; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","N-(5-Chloro-pyridin-2-yl)-benzenesulfonamide","Crystal Structure Report Archive","1999","","","172","","","","","0.71073","MoKα","","0.0501","0.0366","","","0.0867","0.0933","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519211","8.248","0.0007","10.7247","0.0009","19.0148","0.0018","80.429","0.005","88.947","0.005","71.679","0.005","1573.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 F3 O3 -","- C16 H19 F3 O3 -","- C64 H76 F12 O12 -","4","2","","Metwally, R. N.; Salem, E. E. -D. M.; El-Sagheer, A. H.; Mellor, J. M.; Coles, Simon J.","(2SR,2'RS)-1,1,1-Trifluoro-2-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-3-phenyl-2- propanol","Crystal Structure Report Archive","1999","","","76","","","","","0.71073","MoKα","","0.1592","0.0566","","","0.0892","0.1165","","","","","","0.927","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519212","21.241","0.004","16.179","0.003","10.732","0.002","90","","92.64","0.03","90","","3684.2","1.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 F6 O4 -","- C19 H18 F6 O4 -","- C152 H144 F48 O32 -","8","1","","Metwally, R. N.; Salem, E. E. -D. M.; El-Sagheer, A. H.; Mellor, J. M.; Coles, Simon J.","2-Benzyl-4',6'-bis(trifluoromethyl)-6'-hydroxy-2',3',7',7a'-tetrahydro-6'H- spiro-(furan-3,7'-(furo(3,2-c)pyran))","Crystal Structure Report Archive","1999","","","77","","","","","0.71073","MoKα","","0.122","0.0499","","","0.1236","0.1579","","","","","","0.86","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519213","12.9524","0.0006","17.6853","0.0008","9.365","0.0004","90","","110.787","0.003","90","","2005.57","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Fe N3 O3 -","- C23 H21 Fe N3 O3 -","- C92 H84 Fe4 N12 O12 -","4","1","","Tucker, James H. R.; Gelbrich, Thomas; Hursthouse, Michael B.","C23H21FeN3O3","Crystal Structure Report Archive","1999","","","809","","","","","0.71073","MoKα","","0.0995","0.0474","","","0.0941","0.1071","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519214","11.5712","0.0002","17.2776","0.0004","17.8033","0.0003","68.439","0.001","84.588","0.001","76.966","0.001","3224.69","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H69 La N6 O24 -","- C60 H69 La N6 O24 -","- C120 H138 La2 N12 O48 -","2","1","","Bruce, Duncan W.; Gelbrich, Thomas; Hursthouse, Michael B.","C60H69LaN6O24","Crystal Structure Report Archive","1999","","","810","","","","","0.71073","MoKα","","0.0928","0.0588","","","0.1347","0.1471","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519215","6.05","0.001","7.855","0.002","12.195","0.002","92.78","0.03","103.54","0.03","111.46","0.03","518.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Benzenesulfonamidopyrazine","Benzenesulfonamidopyrazine","","- C10 H9 N3 O2 S -","- C10 H9 N3 O2 S -","- C20 H18 N6 O4 S2 -","2","1","","Threlfall, Terry L; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","N-(1,4-Dihydro-pyrazin-2-yl)-benzenesulfonamide","Crystal Structure Report Archive","1999","","","165","","","","","0.71073","MoKα","","0.0648","0.0433","","","0.0956","0.106","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519216","14.784","0.001","5.67","0.003","18.492","0.004","90","","90","","90","","1550.1","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","","Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","166","","","","","0.71073","MoKα","","0.0594","0.0402","","0.118","0.1075","","","","1.064","1.147","1.147","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519217","8.451","0.002","11.797","0.002","14.488","0.003","104.81","0.03","103.71","0.03","98.48","0.03","1322.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 N4 O3 S -","- C12 H12 N4 O3 S -","- C48 H48 N16 O12 S4 -","4","2","","Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","N-[4-(1,4-Dihydro-pyrazin-2-ylsulfamoyl)-phenyl]-acetamide","Crystal Structure Report Archive","1999","","","167","","","","","0.71073","MoKα","","0.0862","0.0471","","","0.1081","0.1255","","","","","","0.97","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519218","8.453","0.002","11.809","0.002","14.541","0.003","104.79","0.03","104.05","0.03","98.4","0.03","1327.5","0.6","320","2","320","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 N4 O3 S -","- C12 H12 N4 O3 S -","- C48 H48 N16 O12 S4 -","4","2","","Threlfall, Terry L; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","N-[4-(1,4-Dihhydro-pyrazin-2-ylsulfamoyl]-acetamide","Crystal Structure Report Archive","1999","","","168","","","","","0.71073","MoKα","","0.0954","0.0482","","","0.1049","0.1245","","","","","","0.963","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519219","9.748","0.002","10.889","0.002","12.473","0.002","80.32","0.03","79.02","0.03","74.54","0.03","1243","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","tosylamido-5-chloropyridine","tosylamido-5-chloropyridine","","- C12 H11 Cl N2 O2 S -","- C12 H11 Cl N2 O2 S -","- C48 H44 Cl4 N8 O8 S4 -","4","2","","Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","N-(5-Chloro-pyridin-2-yl)-4-methyl-benzenesulfonamide","Crystal Structure Report Archive","1999","","","176","","","","","0.71073","MoKα","","0.0488","0.0368","","","0.0913","0.098","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519220","7.732","0.0004","9.8233","0.0004","56.321","0.002","90","","92.402","0.001","90","","4274","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N O10 Re -","- C44 H50 N O10 Re -","- C176 H200 N4 O40 Re4 -","4","1","","Bruce, Duncan W.; Light, Mark E.; Hursthouse, Michael B.","C44H50NO10Re","Crystal Structure Report Archive","1999","","","740","","","","","0.71073","MoKα","","0.098","0.0386","","","0.0575","0.0691","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519221","5.3172","0.0014","8.805","0.003","20.641","0.007","90","","91.695","0.017","90","","965.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N O2 -","- C10 H12 N O2 -","- C40 H48 N4 O8 -","4","1","","Jones, Ray; Light, Mark E.; Hursthouse, Michael B.","C10H12NO2","Crystal Structure Report Archive","1999","","","742","","","","","0.71073","MoKα","","0.21","0.0653","","","0.1411","0.2012","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519222","14.0554","0.0004","14.0554","0.0004","9.5929","0.0001","90","","90","","90","","1895.12","0.08","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C12 H28 Cl2 Co N2 O4 -","- C12 H30 Cl2 Co N2 O4 -","- C48 H120 Cl8 Co4 N8 O16 -","4","0.5","","Kelly, Dave G.; Gelbrich, Thomas; Hursthouse, Michael B.","C12H28Cl2CoN2O4","Crystal Structure Report Archive","1999","","","808","","","","","0.71073","MoKα","","0.0352","0.0239","","","0.0577","0.061","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519223","11.352","0.002","12.894","0.003","17.223","0.003","68.61","0.03","83.13","0.03","80.13","0.03","2308.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 F6 N2 O11 -","- C48 H52 F6 N2 O10.6 -","- C96 H104 F12 N4 O21.2 -","2","1","","Hursthouse, Michael B.; Coles, Simon J.; Desvergne, J. -P.; Bouas-Laurent, H.; Tucker, J. H. R.; McSkimming, G.; Light, Mark E.","4,13-bis(2-(9-Anthryloxy)ethyl)-4,13-diazonia-[18]crown-6 bis(trifluoroacetate) monohydrate","Crystal Structure Report Archive","1999","","","92","","","","","0.71073","MoKα","","0.0884","0.0595","","","0.1684","0.1843","","","","","","1.246","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519224","10.102","0.002","20.609","0.004","18.706","0.004","90","","103.59","0.03","90","","3785.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Bi O6 -","- C46 H37 Bi O6 -","- C184 H148 Bi4 O24 -","4","1","","Hursthouse, Michael B.; Gelbrich, Thomas; Costello, J. F.; Coles, Simon J.; Barucki, H.","bis(2-Hydroxy-2,2-diphenylacetato)-triphenyl-bismuth","Crystal Structure Report Archive","1999","","","95","","","","","0.71073","MoKα","","0.0319","0.0267","","","0.0794","0.0878","","","","","","0.751","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519225","11.345","0.002","8.087","0.002","12.444","0.002","90","","95.23","0.02","90","","1136.9","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H30 O7 -","- C25 H30 O7 -","- C50 H60 O14 -","2","1","","Ward, Robert S.; Coles, Simon J.; Hursthouse, Michael B.","C25H30O7","Crystal Structure Report Archive","1999","","","1045","","","","","0.71073","MoKα","","0.0535","0.0364","","","0.0972","0.1165","","","","","","0.846","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519226","11.754","0.002","13.88","0.003","7.205","0.001","90","","107.18","0.03","90","","1123","0.4","150","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzenesulfonamido-5-methylpyridine","Benzenrsulfonamido-5-methylpyridine","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.","N-(5-Methyl-pyridin-2-yl)-benzenesulfonamide","Crystal Structure Report Archive","1999","","","163","","","","","0.71073","MoKα","","0.0527","0.0396","","","0.1011","0.108","","","","","","1.075","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519227","7.879","0.002","9.393","0.002","10.085","0.002","90.01","0.03","108.24","0.03","103.77","0.03","686.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","p-acetoamidobenzenesulfonamido-5-chloropyridine","p-acetoamidobenzenesulfonamido-5-chloropyridine","","- C13 H12 Cl N3 O3 S -","- C13 H12 Cl N3 O3 S -","- C26 H24 Cl2 N6 O6 S2 -","2","1","","Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","p-acetoamidobenzenesulfonamide-5-chloropyridine","Crystal Structure Report Archive","1999","","","164","","","","","0.71073","MoKα","","0.034","0.0313","","","0.0782","0.0806","","","","","","1.111","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519228","14.784","0.001","5.67","0.003","18.492","0.004","90","","90","","90","","1550.1","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","173","","","","","0.71073","MoKα","","0.0594","0.0402","","0.118","0.1075","","","","1.064","1.147","1.147","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519229","9.933","0.002","11.528","0.002","12.703","0.003","115.74","0.03","100.11","0.03","95.54","0.03","1265.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","p-aminobenzenesulfonamido-5-bromopyridine","p-aminobenzenesulfonamido-5-bromopyridine","","- C11 H10 Br N3 O2 S -","- C11 H10 Br N3 O2 S -","- C44 H40 Br4 N12 O8 S4 -","4","2","","Threlfall, Terry L.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.","p-aminobenzenesulfonamide-5-bromopyridine","Crystal Structure Report Archive","1999","","","174","","","","","0.71073","MoKα","","0.0665","0.0416","","","0.0935","0.105","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519230","12.476","0.002","14.045","0.003","15.134","0.003","90","","109.33","0.03","90","","2502.4","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","p-aminobenzenesulfonamido-5-chloropyridine","p-aminobenzenesulfonamido-5-chloropyridine","","- C11 H10 Cl N3 O2 S -","- C11 H10 Cl N3 O2 S -","- C88 H80 Cl8 N24 O16 S8 -","8","2","","Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","p-aminobenzenesulfonamide-5-chloropyridine","Crystal Structure Report Archive","1999","","","175","","","","","0.71073","MoKα","","0.082","0.0598","","","0.164","0.177","","","","","","1.11","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519231","13.1462","0.0003","14.358","0.0002","19.1176","0.0004","89.332","0.001","81.509","0.001","84.008","0.001","3549.43","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 Co3 O9 P2 -","- C36 H27 Co3 O9 P2 -","- C144 H108 Co12 O36 P8 -","4","2","","Morley, Christopher P.; Light, Mark E.; Hursthouse, Michael B.","C72H54Co6O18P4","Crystal Structure Report Archive","1999","","","729","","","","","0.71073","MoKα","","0.0734","0.0409","","","0.093","0.1058","","","","","","0.979","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1519232","9.2535","0.0003","13.1779","0.0004","9.6444","0.0002","90","","113.149","0.001","90","","1081.37","0.05","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H30 O7 -","- C25 H30 O7 -","- C50 H60 O14 -","2","1","","Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B.","C25H30O7","Crystal Structure Report Archive","1999","","","741","","","","","0.71073","MoKα","","0.0445","0.0369","","","0.0817","0.0855","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519233","13.189","0.003","9.3","0.002","16.258","0.003","90","","102.79","0.03","90","","1944.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C92 H104 N8 O12 -","4","1","","Heron, Mark; Gelbrich, Thomas; Hursthouse, Michael B.","C23H26N2O3","Crystal Structure Report Archive","1999","","","805","","","","","0.71073","MoKα","","0.0913","0.0491","","","0.1124","0.1324","","","","","","0.961","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519234","3.8247","0.0002","7.8279","0.0004","17.0839","0.001","99.951","0.003","95.698","0.003","94.805","0.004","498.63","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H4 N2 S2 -","- C12 H4 N2 S2 -","- C24 H8 N4 S4 -","2","1","","Murphy, Patrick J.; Gelbrich, Thomas; Hursthouse, Michael B.","C12H4N2S2","Crystal Structure Report Archive","1999","","","806","","","","","0.71073","MoKα","","0.0609","0.0399","","","0.0911","0.0979","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519235","10.082","0.002","20.406","0.004","18.756","0.004","90","","103.87","0.03","90","","3746.2","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 O6 Sb -","- C46 H37 O6 Sb -","- C184 H148 O24 Sb4 -","4","1","","Hursthouse, Michael B.; Gelbrich, Thomas; Costello, J. F.; Coles, Simon J.; Barucki, H.","bis(2-Hydroxy-2,2-diphenylacetato)-triphenyl-antimony","Crystal Structure Report Archive","1999","","","94","","","","","0.71073","MoKα","","0.0474","0.0348","","","0.0959","0.1072","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519236","10.349","0.002","12.081","0.002","15.099","0.003","91","0.03","103.07","0.03","90.72","0.03","1838.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 O3 S3 -","- C19 H16 O3 S3 -","- C76 H64 O12 S12 -","4","2","","Khan, T.; Hursthouse, Michael B.; Coles, Simon J.; Skabara, P. J.","2,4-bis(2-Methoxyphenyl)-3-oxa-6,8-dioxabicyclo(3.3.0)oct-1(5)en-7-thione","Crystal Structure Report Archive","2000","","","102","","","","","0.71073","MoKα","","0.0651","0.0412","","","0.0948","0.1038","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519237","8.8098","0.0018","10.574","0.002","24.736","0.005","90","","90","","90","","2304.3","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C96 H96 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","N-(4-Methyl-1H-pyridin-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","177","","","","","0.71073","MoKα","","0.0666","0.0441","","","0.1096","0.1208","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519238","8.1459","0.0016","14.656","0.003","12.532","0.003","90","","105.63","0.03","90","","1440.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C56 H60 N12 O12 S4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","N-[4-(3-Methyl-1H-pyridin-2-ylidene sulfamoyl)-phenyl]-acetamide","Crystal Structure Report Archive","2000","","","179","","","","","0.71073","MoKα","","0.0929","0.0482","","","0.1201","0.1408","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519239","10.728","0.002","14.895","0.003","14.669","0.003","90","","103.2","0.03","90","","2282.1","0.8","1510","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C96 H96 N16 O16 S8 -","8","2","","Threlfall, Terry L.; Coles, Simon J.; Mayer, Thomas A.; Hursthouse, Michael B.","4-Methyl-N-(1H-pyridin-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","185","","","","","0.71073","MoKα","","0.1272","0.0547","","","0.1049","0.1285","","","","","","0.98","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519240","10.218","0.002","8.8345","0.0018","16.655","0.003","90","","99.09","0.03","90","","1484.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N3 O4 S -","- C12 H19 N3 O4 S -","- C48 H76 N12 O16 S4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","4-Amino-benzenesulfonamide 1-Morpholin-4-yl-ethanone solvate","Crystal Structure Report Archive","2000","","","192","","","","","0.71073","MoKα","","0.054","0.0417","","","0.1075","0.1155","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519241","18.931","0.004","9.413","0.0019","14.701","0.003","90","","115.96","0.03","90","","2355.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C96 H96 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","N-(3-Methyl-1H-pyridin-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","197","","","","","0.71073","MoKα","","0.0976","0.0481","","","0.1024","0.1205","","","","","","0.977","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519242","5.9447","0.0012","7.789","0.0016","12.333","0.003","97.75","0.03","94.54","0.03","106.5","0.03","538.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C26 H24 N4 O2 -","2","1","","Coles, Simon J.; Threlfall, Terry L.; Mayer, Thomas A.; Hursthouse, Michael B.","4-Methyl-N-pyridin-2-yl-benzamide","Crystal Structure Report Archive","2000","","","201","","","","","0.71073","MoKα","","0.0598","0.0448","","","0.1128","0.1244","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519243","8.5829","0.0017","15.587","0.003","25.277","0.005","90","","90","","90","","3381.6","1.1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl8 N9 P6 S -","- C15 H25 Cl8 N9 P6 S -","- C60 H100 Cl32 N36 P24 S4 -","4","1","","Shaw, R. A.; Davies, David B.; Kilic, A.; Ibisoglu, H.; Coles, Simon J.; Hursthouse, Michael B.","(4,4,6,6-tetrachloro-2-[(2,4-dimethylphenyl)thio]-N-[4-(2,2,4,4- tetrachloro- 1,3,5,7,11-pentaaza-2?5,4?5,6?5-triphosphaspiro[5.5] undeca-1,3,5-trien-7-yl) butyl]-1,3,5,2?5,4?5,6?5- triazatriphosphinin-2-amine (C15H25Cl8N9P6S)","Crystal Structure Report Archive","2000","","","336","","","","","0.71073","MoKα","","0.0665","0.0453","","","0.1003","0.1127","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519244","14.845","0.003","15","0.003","9.045","0.0018","90","","115.04","0.03","90","","1824.8","0.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H24 Br N O -","- C21 H24 Br N O -","- C84 H96 Br4 N4 O4 -","4","1","","Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.","C21H24BrNO","Crystal Structure Report Archive","2000","","","777","","","","","0.71073","MoKα","","0.0613","0.0481","","","0.1076","0.1159","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519245","8.824","0.0005","8.8434","0.0005","9.1388","0.0006","94.442","0.002","100.154","0.003","94.77","0.003","696.45","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 O12 Si8 -","- C16 H24 O12 Si8 -","- C16 H24 O12 Si8 -","1","0.5","","Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B","C16H24O12Si8","Crystal Structure Report Archive","2000","","","838","","","","","0.71073","MoKα","","0.1255","0.0568","","","0.1029","0.117","","","","","","0.914","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519246","6.9169","0.0014","21.853","0.004","6.7218","0.0013","90","","110.79","0.03","90","","949.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl2 N6 O6 Pt -","- C12 H18 Cl2 N6 O6 Pt -","- C24 H36 Cl4 N12 O12 Pt2 -","2","0.5","","Azam, A.; Maurya, M. R.; Naqvi, F.; Mata-Cardenas, B. D.; Cruz-Vega, D. E.; Garza, M. T. G.; Mayer, Thomas A.; Hursthouse, Michael B.; Coles, Simon J.; Bharti, N.","trans-Dichloro-bis(1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole-N3)- platinum(ii)","Crystal Structure Report Archive","2000","","","100","","","","","0.71073","MoKα","","0.048","0.0433","","","0.1192","0.1258","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519247","10.97","0.002","12.766","0.003","11.5","0.002","90","","107.27","0.03","90","","1537.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C60 H76 N12 O12 S4 -","4","1","","Threlfall, Terry L.; Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.","4-Amino-N-(1H-pyridin-2-ylidene)-benzenesulfonamide and tetrahydro-furan solvate","Crystal Structure Report Archive","2000","","","183","","","","","0.71073","MoKα","","0.056","0.0419","","","0.105","0.1142","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519248","5.5166","0.0011","8.7652","0.0018","20.695","0.004","90","","96.25","0.03","90","","994.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N2 O2 S2 -","- C9 H8 N2 O2 S2 -","- C36 H32 N8 O8 S8 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","2-Benzenesulfonylamino-3H-thiazol-1-ylium","Crystal Structure Report Archive","2000","","","191","","","","","0.71073","MoKα","","0.0711","0.044","","","0.0988","0.1113","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519249","6.2197","0.0012","8.1201","0.0016","12.208","0.002","103.18","0.03","91.76","0.03","104.15","0.03","579.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N3 O2 S2 -","- C10 H11 N3 O2 S2 -","- C20 H22 N6 O4 S4 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","4-Methyl-N-(5-methyl-3H-[1,3,4]thiadiazol-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","195","","","","","0.71073","MoKα","","0.054","0.0369","","","0.0908","0.1054","","","","","","0.669","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519250","10.273","0.0003","16.4508","0.0005","11.1879","0.0004","90","","96.538","0.002","90","","1878.45","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Br Fe -","- C26 H17 Br Fe -","- C104 H68 Br4 Fe4 -","4","1","","Butler, Ian. R.; Light, Mark E.; Hursthouse, Michael B.","C26H17BrFe","Crystal Structure Report Archive","2000","","","720","","","","","0.71073","MoKα","","0.069","0.0524","","","0.1405","0.1499","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519251","16.4884","0.0002","10.8238","0.0002","10.8189","0.0003","90","","108.896","0.001","90","","1826.76","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N2 P S Se -","- C19 H14 Cl N2 P S Se -","- C76 H56 Cl4 N8 P4 S4 Se4 -","4","1","","Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.","C19H14ClN2PSSe","Crystal Structure Report Archive","2000","","","721","","","","","0.71073","MoKα","","0.0375","0.0304","","","0.0736","0.0772","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519252","7.9797","0.0001","16.1834","0.0002","21.5337","0.0003","90","","90.409","0.001","90","","2780.76","0.06","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cl2 Ir N2 P S2 -","- C29 H28 Cl2 Ir N2 P S2 -","- C116 H112 Cl8 Ir4 N8 P4 S8 -","4","1","","Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.","C29H28Cl2IrN2PS2","Crystal Structure Report Archive","2000","","","738","","","","","0.71073","MoKα","","0.0337","0.0271","","","0.0624","0.065","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519253","6.5051","0.0013","10.758","0.002","16.079","0.003","100.36","0.03","101.24","0.03","93.97","0.03","1079.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl2 N4 O4 -","- C21 H24 Cl2 N4 O4 -","- C42 H48 Cl4 N8 O8 -","2","1","","Jones, Ray; Coles, Simon J.; Hursthouse, Michael B.","C21H24Cl2N4O4","Crystal Structure Report Archive","2000","","","773","","","","","0.71073","MoKα","","0.0767","0.0449","","","0.1053","0.1182","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519254","6.2157","0.0012","9.6972","0.0019","11.921","0.002","89.14","0.03","79.65","0.03","81.51","0.03","699.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 O5 Si2 -","- C8 H22 O5 Si2 -","- C16 H44 O10 Si4 -","2","1","","Taylor, Peter. G.; Coles, Simon J.; Hursthouse, Michael B.","C8H22O5Si2","Crystal Structure Report Archive","2000","","","774","","","","","0.71073","MoKα","","0.0602","0.0443","","","0.1168","0.1264","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519255","7.9054","0.0003","10.5443","0.0004","5.9511","0.0002","90","","90","","90","","496.07","0.03","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cl H5 O6 -","- Cl H5 O6 -","- Cl4 H20 O24 -","4","1","","Ward, Robert S.; Gelbrich, Thomas; Hursthouse, Michael B.","ClH5O6","Crystal Structure Report Archive","2000","","","825","","","","","0.71073","MoKα","","0.0376","0.0374","","","0.097","0.0971","","","","","","1.663","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519256","13.1826","0.0002","12.8268","0.0002","16.4122","0.0003","90","","105.964","0.001","90","0.001","2668.12","0.08","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br Cl6 Cu D2 N3 -","- C20 H19 Br Cl6 Cu D2 N3 -","- C80 H76 Br4 Cl24 Cu4 D8 N12 -","4","1","","Eastham, G.; Hursthouse, Michael B.; Light, Mark E.; Kleinhenz, S.; Danopoulos, A. A.; Tulloch, A. A. D.","catena-((I(1/4)2-3-(Mesityl)-1-((pyrid-2-yl)methyl)imidazol-2-ylidene-C,N)- bromo-copper(i) deuterochloroform solvate)","Crystal Structure Report Archive","2000","","","115","","","","","0.71073","MoKα","","0.1755","0.056","","","0.1144","0.1528","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519257","7.4172","0.0004","21.242","0.0006","5.6592","0.0017","90","","90","","90","","891.6","0.3","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C10 H8 S2 -","- C10 H8 S2 -","- C40 H32 S8 -","4","0.5","","Murphy, Patrick J.; Light, Mark E.; Hursthouse, Michael B.","C10H8S2","Crystal Structure Report Archive","2000","","","733","","","","","0.71073","MoKα","","0.0582","0.0423","","","0.1115","0.1205","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519258","14.9089","0.0003","11.4831","0.0002","16.9207","0.0003","90","","100.345","0.001","90","","2849.74","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N4 P2 Pt S2 -","- C30 H24 N4 P2 Pt S2 -","- C120 H96 N16 P8 Pt4 S8 -","4","1","","Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.","C30H24N4P2PtS2","Crystal Structure Report Archive","2000","","","735","","","","","0.71073","MoKα","","0.0387","0.0311","","","0.0753","0.0791","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519259","8.7176","0.0001","13.4265","0.0002","16.1511","0.0004","95.555","0.001","101.99","0.001","104.518","0.001","1767.88","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 N4 -","- C20 H24 N4 -","- C80 H96 N16 -","4","2","","Bell, Norman A.; Light, Mark E.; Hursthouse, Michael B.","C20H24N4","Crystal Structure Report Archive","2000","","","736","","","","","0.71073","MoKα","","0.0671","0.0408","","","0.094","0.1062","","","","","","0.992","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1519260","13.4814","0.0003","7.2705","0.0002","17.7911","0.0004","90","","94.266","0.001","90","","1738.99","0.07","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B.","C20H20O6","Crystal Structure Report Archive","2000","","","737","","","","","0.71073","MoKα","","0.0432","0.0349","","","0.087","0.0919","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519261","7.1328","0.0014","20.699","0.004","7.1455","0.0014","90","","116.17","0.03","90","","946.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl2 N6 O6 Pd -","- C12 H18 Cl2 N6 O6 Pd -","- C24 H36 Cl4 N12 O12 Pd2 -","2","0.5","","Maurya, M. R.; Naqvi, F.; Mata-Cardenas, B. D.; Cruz-Vega, D. E.; Garza, M. T. G.; Mayer, Thomas A.; Hursthouse, Michael B.; Coles, Simon J.; Bharti, N.; Azam, A.","trans-Dichloro-bis(1-(2'-hydroxyethyl)-2-methyl-5-nitroimidazole-N3)- palladium(ii)","Crystal Structure Report Archive","2000","","","99","","","","","0.71073","MoKα","","0.0298","0.0229","","","0.0538","0.0572","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519262","10.647","0.002","17.517","0.004","16.715","0.003","90","","105.06","0.03","90","","3010.3","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl N O3 P2 Pt -","- C33 H30 Cl N O3 P2 Pt -","- C132 H120 Cl4 N4 O12 P8 Pt4 -","4","1","","Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B.","C33H30ClNO3P2Pt","Crystal Structure Report Archive","2000","","","1013","","","","","0.71073","MoKα","","0.0423","0.0363","","","0.1003","0.1076","","","","","","0.871","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519263","10.223","0.002","17.348","0.004","19.475","0.004","90","","94.73","0.03","90","","3442.1","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Cl N2 P S -","- C19 H14 Cl N2 P S -","- C152 H112 Cl8 N16 P8 S8 -","8","1","","Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B.","C19H14ClN2PS","Crystal Structure Report Archive","2000","","","1027","","","","","0.71073","MoKα","","0.052","0.038","","","0.112","0.125","","","","","","0.948","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519264","8.6514","0.0012","8.6514","0.0012","20.538","0.004","90","","90","","90","","1537.2","0.4","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H14 N4 O2 S2 -","- C14 H14 N4 O2 S2 -","- C56 H56 N16 O8 S8 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","2-(4-Amino-benzenesulfonylamino)-3H-thiazol-1-ylium and pyridine solvate","Crystal Structure Report Archive","2000","","","184","","","","","0.71073","MoKα","","0.0353","0.031","","","0.0714","0.0747","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519265","12.179","0.002","9.6098","0.0019","13.353","0.003","90","","101.92","0.03","90","","1529.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N5 O2 S2 -","- C13 H17 N5 O2 S2 -","- C52 H68 N20 O8 S8 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","2-(4-Amino-benzenesulfonylamino)-3H-thiazol-1-ylium 2-Methyl-imidazolidine solvate","Crystal Structure Report Archive","2000","","","194","","","","","0.71073","MoKα","","0.0436","0.0347","","","0.0863","0.0917","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519266","10.7087","0.001","11.4437","0.0013","13.708","0.0015","110.139","0.004","91.011","0.004","96.298","0.004","1564.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 Cl2 O -","- C9 H14 Cl2 O -","- C54 H84 Cl12 O6 -","6","3","","Gelbrich, Thomas; Peron, G.; Hursthouse, Michael B.; Kilburn, Jeremy D.","1,7-Dichloro-3-methyl-bicyclo[4.2.0]octan-3-ol","Crystal Structure Report Archive","2000","","","402","","","","","0.71073","MoKα","","0.1259","0.0611","","","0.1194","0.1309","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519267","11.7383","0.0003","10.1001","0.0002","21.5543","0.0007","90","","92.982","0.009","90","","2551.97","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C112 H160 O16 -","8","2","","Gelbrich, Thomas; Watson, Faye; Hursthouse, Michael B.; Kilburn, Jeremy D.","4-Methylene-1-(2-methylene-cyclopropyl)-octahydro-isochromen-4a-ol","Crystal Structure Report Archive","2000","","","403","","","","","0.71073","MoKα","","0.1375","0.0533","","","0.0946","0.1063","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519268","7.515","0.0002","9.3921","0.0002","30.7365","0.0002","90","","90","","90","","2169.43","0.08","150","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C88 H120 B8 O16 -","8","1","","Gelbrich, Thomas; Sampson, David; Hursthouse, Michael B.","(E)-5-Phenyl-pent-1-enyl-boronic acid","Crystal Structure Report Archive","2000","","","528","","","","","","","","0.1058","0.0547","","","0.1241","0.1393","","","","","","0.92","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519269","10.9623","0.0004","10.1397","0.0004","11.9175","0.0005","90","","92.078","0.002","90","","1323.81","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O6 S -","- C12 H16 O6 S -","- C48 H64 O24 S4 -","4","1","","Gelbrich, Thomas; Lucas, Matthew; Hursthouse, Michael B.; Harrowven, David C.","6a-Methyl-2,3,3-trioxo-octahydro-1-oxa-3lamda*6*-thia-cyclopenta[cd]pentalene- 6b-carboxylic acid ethyl ester","Crystal Structure Report Archive","2000","","","533","","","","","","MoKα","","0.0522","0.0384","","","0.0786","0.083","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519270","7.9022","0.0003","10.6116","0.0004","15.3911","0.0008","104.376","0.0017","91.507","0.0015","90.616","0.002","1249.58","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N O6 Si -","- C25 H31 N O6 Si -","- C50 H62 N2 O12 Si2 -","2","1","","Gelbrich, Thomas; Peron, G.; Hursthouse, Michael B.; Kilburn, Jeremy D.","4-Nitrobenzoic acid 2-[4-(hydroxy-dimethyl-silanyl)-1-methyl-3-methylene-4- phenyl-cyclohexyloxy]-ethyl ester","Crystal Structure Report Archive","2000","","","534","","","","","0.71073","MoKα","","0.2022","0.0727","","","0.1133","0.1274","","","","","","1.22","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519271","11.5628","0.0005","12.1797","0.0005","14.6529","0.0008","80.292","0.002","72.282","0.002","81.472","0.002","1927.19","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 Fe N3 O2 -","- C23 H19 Fe N3 O2 -","- C92 H76 Fe4 N12 O8 -","4","2","","Tucker, James H. R.; Light, Mark E.; Hursthouse, Michael B.","C23H19FeN3O2","Crystal Structure Report Archive","2000","","","730","","","","","0.71073","MoKα","","0.1844","0.0664","","","0.1176","0.1567","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519272","9.2288","0.0018","20.362","0.004","7.6375","0.0015","90","","91","0.03","90","","1435","0.5","150","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F3 O2 -","- C16 H17 F3 O2 -","- C64 H68 F12 O8 -","4","1","","Metwally, R. N.; Salem, E. E. -D. M.; El-Sagheer, A. H.; Mellor, J. M.; Coles, Simon J.","2-(3,4-Dihydro-2H-pyran-5-yl)-1,1,1-trifluoro-3-phenylpent-4-en-2-ol","Crystal Structure Report Archive","2000","","","78","","","","","0.71073","MoKα","","0.086","0.0571","","","0.1599","0.1774","","","","","","1.136","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519273","14.5002","0.0003","13.4816","0.0003","7.0091","0.0001","90","","90","","90","","1370.18","0.05","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 O S4 -","- C13 H10 O S4 -","- C52 H40 O4 S16 -","4","0.5","","Murphy, P. J.; Gelbrich, Thomas; Hursthouse, Michael B.","C13H10OS4","Crystal Structure Report Archive","2000","","","824","","","","","0.71073","MoKα","","0.0426","0.038","","","0.1019","0.1049","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519274","9.54","0.0019","13.248","0.003","28.592","0.006","90","","98.73","0.03","90","","3571.8","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 O4 Sb -","- C44 H45 O4 Sb -","- C176 H180 O16 Sb4 -","4","1","","Hursthouse, Michael B.; Costello, J. F.; Coles, Simon J.; Barucki, H.","(RR,SS,RS)-Triphenyl-bis(2-cyclopentyl-2-phenylacetato-O)-antimony(v)","Crystal Structure Report Archive","2000","","","93","","","","","0.71073","MoKα","","0.0778","0.0577","","","0.1866","0.1945","","","","","","1.43","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519275","7.9539","0.0016","9.5523","0.0019","10.695","0.002","97.61","0.03","110.44","0.03","104.17","0.03","716.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Br F3 O2 -","- C14 H14 Br F3 O2 -","- C28 H28 Br2 F6 O4 -","2","1","","Hursthouse, Michael; Coles, Simon J.","3-(4-Bromophenyl)-2-(3,4-dihydro-2H-pyran-5-yl)-1,1,1-trifluoropropan-2-ol","Crystal Structure Report Archive","2000","","","98","","","","","0.71073","MoKα","","0.1379","0.0576","","","0.1393","0.1797","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519276","12.732","0.003","13.131","0.003","13.04","0.003","90","","96.88","0.03","90","","2164.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O5 S3 -","- C21 H20 O5 S3 -","- C84 H80 O20 S12 -","4","1","","Hursthouse, Michael B.; Coles, Simon J.; Skabara, P. J.; Khan, T.","4-Formyl-5-bis(2,4-dimethoxyphenyl)methyl-1,3-dithiole-2-thione","Crystal Structure Report Archive","2000","","","105","","","","","0.71073","MoKα","","0.1006","0.0493","","","0.122","0.1432","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519277","18.175","0.004","8.1029","0.0016","16.535","0.003","90","","91.08","0.03","90","","2434.7","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C96 H104 N24 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","4-Amino-N-(3-methyl-1H-pyridin-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","178","","","","","0.71073","MoKα","","0.0471","0.0374","","","0.0979","0.1041","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519278","15.837","0.003","8.6247","0.0017","18.643","0.004","90","","94.14","0.03","90","","2539.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C96 H104 N24 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","4-Amino-N-(4-methyl-1H-pyridin-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","180","","","","","0.71073","MoKα","","0.104","0.049","","","0.1077","0.1276","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519279","13.681","0.003","5.8449","0.0012","14.859","0.003","90","","114.97","0.03","90","","1077.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 S -","- C10 H10 N4 O2 S -","- C40 H40 N16 O8 S4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","4-Amino-N-pyrimidin-2-yl-benzenesulfonamide","Crystal Structure Report Archive","2000","","","186","","","","","0.71073","MoKα","","0.0527","0.0389","","","0.0973","0.1062","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519280","6.0265","0.0012","7.9404","0.0016","12.193","0.002","82.26","0.03","89.81","0.03","88.35","0.03","577.91","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N3 O2 S -","- C11 H11 N3 O2 S -","- C22 H22 N6 O4 S2 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","N-(2,5-Dihydro-pyrimidine-2-yl)-4-methyl-benzenesulfonamide","Crystal Structure Report Archive","2000","","","105","","","","","0.71073","MoKα","","0.0534","0.0418","","","0.1083","0.1176","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519281","11.748","0.002","5.9187","0.0012","14.655","0.003","90","","99.3","0.03","90","","1005.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O2 S -","- C10 H9 N3 O2 S -","- C40 H36 N12 O8 S4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","N-(1,4-Dihydro-pyrimidin-2-yl)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","188","","","","","0.71073","MoKα","","0.0689","0.0432","","","0.102","0.1138","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519282","6.5117","0.0013","7.9405","0.0016","11.213","0.002","75.67","0.03","86.6","0.03","75.93","0.03","544.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C18 H18 N6 O4 S4 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","N-(5-Methyl-3H-[1,3,4]thiadiazol-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","190","","","","","0.71073","MoKα","","0.0432","0.0355","","","0.0951","0.1005","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519283","10.778","0.002","15.436","0.003","15.688","0.003","90","","102.46","0.03","90","","2548.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C104 H112 N16 O16 S8 -","8","2","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","4-Methyl-N-(4-methyl-1H-pyridin-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","193","","","","","0.71073","MoKα","","0.2038","0.057","","","0.0976","0.1342","","","","","","0.911","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519284","8.8031","0.0018","9.6811","0.0019","10.862","0.002","83.99","0.03","71.84","0.03","78.35","0.03","860.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N3 O4 S -","- C16 H20 N3 O4 S -","- C32 H40 N6 O8 S2 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","4-Amino-N-Pyridin-2-yl-benzenesulfonamide with Formic acid butyl ester","Crystal Structure Report Archive","2000","","","196","","","","","0.71073","MoKα","","0.0644","0.0476","","","0.122","0.1335","","","","","","0.958","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519285","8.9541","0.0002","7.1843","0.0002","19.1662","0.0002","90","","98.162","0.001","90","","1220.45","0.05","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 O2 -","- C13 H22 O2 -","- C52 H88 O8 -","4","1","","Gelbrich, Thomas; Peron, G.; Hursthouse, Michael B.; Kilburn, Jeremy D.","4,4-Dimethyl-3-methylideneoctahydronaphthalene-2,4a(2H)-diol","Crystal Structure Report Archive","2000","","","404","","","","","0.71073","MoKα","","0.1003","0.049","","","0.1011","0.1134","","","","","","0.945","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519286","18.5858","0.001","7.649","0.0003","8.0285","0.0004","90","","90","","90","","1141.35","0.09","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C9 H20 N2 O3 -","- C9 H20 N2 O3 -","- C36 H80 N8 O12 -","4","1","","Gelbrich, Thomas; Shepherd, Emma; Hursthouse, Michael B.; Kilburn, Jeremy D.","N,N,N-Trimethylmethanaminium 2-(acetylamino)propanoate","Crystal Structure Report Archive","2000","","","405","","","","","0.71073","MoKα","","0.052","0.0385","","","0.092","0.097","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519287","7.783","0.0007","7.4943","0.0008","18.919","0.002","90","","90.027","0.004","90","","1103.51","0.19","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H29 O8 -","- C24 H29 O8 -","- C48 H58 O16 -","2","1","","Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B","C24H29O8","Crystal Structure Report Archive","2000","","","732","","","","","0.71073","MoKα","","0.0844","0.0535","","","0.1174","0.1293","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519288","8.342","0.0017","12.846","0.003","22.736","0.005","90","","90","","90","","2436.4","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O9 -","- C26 H30 O9 -","- C104 H120 O36 -","4","1","","Ward, Robert S.; Coles, Simon J.; Hursthouse, Michael B.","C26H30O9","Crystal Structure Report Archive","2000","","","105","","","","","0.71073","MoKα","","0.0658","0.0427","","","0.0957","0.105","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519289","20.426","0.004","5.5841","0.0011","25.536","0.005","90","","93.05","0.03","90","","2908.5","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 F3 O3 -","- C15 H17 F3 O3 -","- C120 H136 F24 O24 -","8","1","","Metwally, R. N.; Salem, E. E. -D. M.; El-Sagheer, A. H.; Mellor, J. M.; Coles, Simon J.","cis-2,2,2,-Trifluoro-1-(2-(p-methoxybenzyl)-tetrahydro-2H-pyran-3-yl)-1- ethanone","Crystal Structure Report Archive","2000","","","79","","","","","0.71073","MoKα","","0.1169","0.0491","","","0.1236","0.1587","","","","","","0.895","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519290","11.862","0.002","17.91","0.004","24.123","0.005","90","","90.95","0.03","90","","5124.2","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Fe N4 O3 -","- C28 H22 Fe N4 O3 -","- C224 H176 Fe8 N32 O24 -","8","1","","Light, Mark E.; Hursthouse, Michael B.; Green, S. J.; Gasser, G.; Collinson, S. R.; Coles, Simon J.; Westwood, J.; Tucker, J. H. R.","1,3-(((6-Methylpyrid-2-yl)amino)carbonyl)ferrocene diethylether solvate","Crystal Structure Report Archive","2000","","","84","","","","","0.71073","MoKα","","0.1144","0.0623","","","0.1642","0.1872","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519291","10.9877","0.0007","11.9703","0.0008","22.4663","0.0018","90","","90","","90","","2954.9","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O11 S -","- C28 H32 N2 O11 S -","- C112 H128 N8 O44 S4 -","4","1","","Light, Mark E.; Jimenez, J. L.; Hursthouse, Michael B.; Cintas, P.; Babiano, R.; Avalos, M.; Arevalo, M. J.; Palacios, J. C.","5-Cyano-2-methyl-4-phenyl-1-(5,6,7-tris(acetoxy)-2,10-dioxa-3,9-dioxa-undeca- 4-yl)-2-aza-7-thiabicyclo[2.2.1]heptane-3-one","Crystal Structure Report Archive","2001","","","117","","","","","0.71073","MoKα","","0.3088","0.0848","","","0.1318","0.193","","","","","","0.904","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519292","32.285","0.002","11.8982","0.0006","19.8475","0.0011","90","","90","","90","","7624.1","0.7","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C45 H31.5 N7.5 O9 -","- C45 H31.5 N7.5 O9 -","- C360 H252 N60 O72 -","8","1","","Light, Mark E.; Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S.","N,N'-bis(4-Nitrophenyl)-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide","Crystal Structure Report Archive","2001","","","120","","","","","0.71073","MoKα","","0.3726","0.0941","","","0.1043","0.1634","","","","","","0.958","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519293","10.973","0.002","12.764","0.003","20.721","0.004","90","","90","","90","","2902.2","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 F O4 -","- C15 H19 F O4 -","- C120 H152 F8 O32 -","8","2","","Hursthouse, Michael B.; Light, Mark E.","(2S)-1-(4-Fluorophenyl)-2-hydroxy-2-((2S,5R)-5-(1-hydroxy-1-methylethyl)- tetrahydrofuran-2-yl)ethanone","Crystal Structure Report Archive","2001","","","121","","","","","0.71073","MoKα","","0.1088","0.0452","","","0.1013","0.1305","","","","","","0.882","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519294","9.9881","0.0013","10.8183","0.0014","10.954","0.0018","96.541","0.008","91.269","0.007","99.439","0.007","1159","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H36 O6 Si4 -","- C16 H36 O6 Si4 -","- C32 H72 O12 Si8 -","2","1","","MacKinnon, I. A.; Liu, Z.; Taylor, P. G.; Yang, Y.; Hursthouse, Michael B.; Horton, Peter N.; Light, Mark E.; Bassindale, A. R.","octakis(Isobutyl)octasilsesquioxane","Crystal Structure Report Archive","2001","","","59","","","","","0.71073","MoKα","","0.2189","0.0841","","","0.1572","0.2024","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519295","12.56","0.0008","9.1084","0.0008","14.2275","0.0011","90","","102.86","0.005","90","","1586.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl4 N10 O4 P6 -","- C16 H34 Cl4 N10 O4 P6 -","- C32 H68 Cl8 N20 O8 P12 -","2","0.5","","Yesilot, S.; Ciftci, G. Y.; Shaw, R. A.; Kilic, A.; Hursthouse, Michael B.; Eaton, R. J.; Davies, David B.; Coles, Simon J.; Besli, S.","meso-(R*,S*)-1,4-bis(15,15-Dichloro-1,5-dioxa-7,9,13,14,16-pentaaza-6,8,15- triphosphadispiro(5.1.5.3)hexadeca-6(16),7,14-trien-9-yl)butane","Crystal Structure Report Archive","2001","","","60","","","","","0.71073","MoKα","","0.1633","0.0612","","","0.1217","0.1539","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519296","14.3683","0.0003","18.0913","0.0004","18.3397","0.0004","106.259","0.001","109.92","0.001","101.908","0.001","4055.2","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H120 O28 Si8 -","- C64 H120 O28 Si8 -","- C128 H240 O56 Si16 -","2","1","","Hursthouse, Michael B.; Horton, Peter N.; Light, Mark E.; Yang, Y.; Taylor, P. G.; MacKinnon, I. A.; Liu, Z. and; Bassindale, A. R.","octakis(4-Methoxycarbonyl)-3,3-dimethyl-n-butyl)octasilsesquioxane","Crystal Structure Report Archive","2001","","","105","","","","","0.71073","MoKα","","0.0996","0.0495","","","0.1","0.1162","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519297","11.7592","0.0004","25.9714","0.0009","12.6411","0.0005","90","","96.581","0.002","90","","3835.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Gelbrich, Thomas; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.; Hursthouse, Michael B.; Stibor, I.; Lhotak, P. L.; Brammer, L.","25,26,27,28-tetrakis(1-Propoxy)calix(4)arene-5,17-dicarboxylic acid","Crystal Structure Report Archive","2001","","","65","","","","","0.71073","MoKα","","0.1671","0.0726","","","0.1599","0.1925","","","","","","1.063","","","","has coordinates","270070","2021-10-23","18:39:36",""
"1519298","19.0961","0.0008","8.5356","0.0005","16.7145","0.0007","90","","115.869","0.004","90","","2451.4","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 Fe N6 O8 -","- C20 H30 Cl2 Fe N6 O8 -","- C80 H120 Cl8 Fe4 N24 O32 -","4","0.5","","Fallis, Ian A.; Light, Mark E.; Hursthouse, Michael B.","C20H30Cl2FeN6O8","Crystal Structure Report Archive","2001","","","726","","","","","0.71073","MoKα","","0.0601","0.0468","","","0.1104","0.117","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519299","10.0025","0.0003","10.8274","0.0004","10.9642","0.0004","96.668","0.002","91.162","0.002","99.392","0.001","1162.66","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H72 O12 Si8 -","- C32 H72 O12 Si8 -","- C32 H72 O12 Si8 -","1","0.5","","Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B.","C32H72O12Si8","Crystal Structure Report Archive","2001","","","839","","","","","0.71073","MoKα","","0.056","0.0382","","","0.093","0.0991","","","","","","0.994","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519300","12.7896","0.0002","16.8418","0.0003","19.3694","0.0003","90","","91.553","0.001","90","","4170.63","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H71 Cu N7 O10 -","- C34 H71 Cu N7 O10 -","- C136 H284 Cu4 N28 O40 -","4","1","","Fallis, Ian A.; Gelbrich, Thomas; Hursthouse, Michael B.","C34H71CuN7O10","Crystal Structure Report Archive","2001","","","840","","","","","0.71073","MoKα","","0.0967","0.0576","","","0.1093","0.1183","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519301","23.868","0.005","8.339","0.0017","20.378","0.004","90","","90","","90","","4055.9","1.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 Cl Cu N4 O4 -","- C96 Cl12 Cu12 N48 O48 -","12","3","","Fallis, Ian A.; Coles, Simon J.; Hursthouse, Michael B.","C8H12ClCuN4O4","Crystal Structure Report Archive","2001","","","1044","","","","","0.71073","MoKα","","0.1177","0.0511","","","0.0774","0.0937","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519302","7.9703","0.0016","12.128","0.002","14.121","0.003","79.14","0.03","83.06","0.03","77.29","0.03","1303.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 N2 O6 Si -","- C27 H36 N2 O6 Si -","- C54 H72 N4 O12 Si2 -","2","1","","Hursthouse, Michael B.; Coles, Simon J.","((2R,5R)-2,5-bis(4-Nitrophenyl)perhydrofuro(2,3-b)furan-3-yl)triisopropylsilane","Crystal Structure Report Archive","2001","","","108","","","","","0.71073","MoKα","","0.0576","0.045","","","0.1196","0.1278","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519303","15.094","0.002","9.007","0.0012","10.3253","0.0016","90","","90","","90","","1403.7","0.3","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 H11 Cl0.5 N1.5 -","- C6 H11.5 Cl0.5 N1.5 -","- C48 H92 Cl4 N12 -","8","1","","Hursthouse, Michael B.; Gale, Phil A.; Coles, Simon J.","Pyrrole hemikis(tetramethylammonium chloride)","Crystal Structure Report Archive","2001","","","122","","","","","0.71073","MoKα","","0.09","0.0617","","","0.1393","0.1558","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519304","14.6339","0.0003","7.7463","0.0001","35.8752","0.0007","90","","91.066","0.003","90","","4066.06","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H31 N O3 Si -","- C20 H31 N O3 Si -","- C160 H248 N8 O24 Si8 -","8","1","","Hursthouse, Michael B.; Light, Mark E.","Triisopropyl-(5-(4-nitrophenyl)tetrahydrofuran-3-ylidenemethyl)silane","Crystal Structure Report Archive","2001","","","123","","","","","0.71073","MoKα","","0.2006","0.0824","","","0.1954","0.2539","","","","","","0.968","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519305","11.4829","0.0003","14.5419","0.0003","15.7595","0.0004","90","","90","","90","","2631.57","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O6 Si -","- C27 H36 N2 O6 Si -","- C108 H144 N8 O24 Si4 -","4","1","","Hursthouse, Michael B.; Light, Mark E.","((2R,5S)-2,5-bis(4-Nitrophenyl)perhydrofuro(2,3-b)furan-3-yl)triisopropylsilane","Crystal Structure Report Archive","2001","","","124","","","","","0.71073","MoKα","","0.0363","0.0307","","","0.0722","0.0738","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519306","9.686","0.0002","18.6429","0.0004","15.5603","0.0003","90","","104.503","0.005","90","","2720.27","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N3 O3 S -","- C32 H29 N3 O3 S -","- C128 H116 N12 O12 S4 -","4","1","","Hursthouse, Michael B.; Coles, Simon J.; Light, Mark E.; Chapman, C. P.; Tizzard, G. J.; Camiolo, S.; Gale, Phil A.","N,N'-Diphenyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide dimethylsulfoxide solvate","Crystal Structure Report Archive","2001","","","125","","","","","0.71073","MoKα","","0.1302","0.0616","","","0.1249","0.15","","","","","","0.995","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519307","26.798","0.002","6.0907","0.0006","12.6373","0.0015","90","","108.968","0.003","90","","1950.6","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9.5 H9 B Fe O4 -","- C9.5 H9 B Fe O4 -","- C76 H72 B8 Fe8 O32 -","8","1","","Hursthouse, Michael B.; Light, Mark E.; Coles, Simon J.; Steed, J. W.; Evans, D. J.; Jones, C.; Willock, D. J.; Dickinson, A. A.; Rossin, A.; Calder, R. J.; Aldridge, Simon","C9.5H9BFeO4","Crystal Structure Report Archive","2001","","","64","","","","","0.71073","MoKα","","0.0732","0.0427","","","0.0886","0.1054","","","","","","1.089","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519308","10.6895","0.0002","13.406","0.0002","13.6885","0.0002","93.628","0.003","93.588","0.003","113.06","0.003","1793.08","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H5 B F10 Fe O2 -","- C19 H5 B F10 Fe O2 -","- C76 H20 B4 F40 Fe4 O8 -","4","2","","Hursthouse, Michael B.; Light, Mark E.; Willock, D. J.; Dickinson, A. A.; Calder, R. J.; Al-Fawaz, A.; Aldridge, Simon","(I.5-Cyclopentadienyl)-dicarbonyl-(bis(pentafluorophenyl)boryl)-iron","Crystal Structure Report Archive","2001","","","105","","","","","0.71073","MoKα","","0.0829","0.0431","","","0.0741","0.0858","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519309","16.4355","0.0003","13.0381","0.0002","6.5149","0.0001","90","","90","","90","","1396.06","0.04","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","","Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B.","C16H14O7","Crystal Structure Report Archive","2001","","","727","","","","","0.71073","MoKα","","0.0394","0.0353","","","0.092","0.0956","","","","","","0.889","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519310","10.0902","0.0002","16.9073","0.0003","28.4041","0.0007","97.307","0.001","93.506","0.001","106.505","0.001","4584.11","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H44 Cl2 Fe -","- C63 H44 Cl2 Fe -","- C252 H176 Cl8 Fe4 -","4","2","","Richards, Chris J.; Gelbrich, Thomas; Hursthouse, Michael B.","C62H42Fe.CH2Cl2","Crystal Structure Report Archive","2001","","","836","","","","","0.71073","MoKα","","0.1578","0.0632","","","0.103","0.1174","","","","","","0.989","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519311","8.4889","0.0002","11.535","0.0002","31.9275","0.0006","90","","90","","90","","3126.32","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 Cl N4 O12 -","- C26 H33 Cl N4 O12 -","- C104 H132 Cl4 N16 O48 -","4","1","","Palacios, J. C.; Light, Mark E.; Jimenez, J. L.; Hursthouse, Michael B.; Gordillo, R.; Clemente, F. R.; Cintas, P.; Babiano, R.; Avalos, M.","(1E,2Z)-1-(Chlorophenyl)-1,2-bis(ethoxycarbonyl)-D-glucosazone","Crystal Structure Report Archive","2001","","","118","","","","","0.71073","MoKα","","0.0784","0.0498","","","0.1105","0.1224","","","","","","0.988","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519312","25.85","0.003","4.6425","0.0007","16.978","0.003","90","","123.95","0.03","90","","1690.2","0.7","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Gelbrich, Thomas; Le Strat, Frederic; Harrowven, David C; Hursthouse, Michael B.","5-(4,4-Diethoxybut-2-yn-1-yl)phenanthridin-6(5H)-one","Crystal Structure Report Archive","2001","","","400","","","","","0.71073","MoKα","","0.1127","0.0532","","","0.0955","0.1122","","","","","","0.981","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519313","10.3182","0.0003","21.7444","0.0007","6.7","0.0002","90","","96.89","0.02","90","","1492.38","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Gelbrich, Thomas; Swain, Nigel; Hursthouse, Michael B.; Brown, Richard","5-Methyl-3,6-diphenyl-hexahydrofuro[3,4-c]pyrrol-4-one","Crystal Structure Report Archive","2001","","","529","","","","","0.71073","MoKα","","0.0697","0.0445","","","0.1084","0.1182","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519314","10.3182","0.0003","21.7444","0.0007","6.7","0.0002","90","","96.89","0.02","90","","1492.38","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Gelbrich, Thomas; Swain, Nigel; Hursthouse, Michael B.; Brown, Richard","5-Methyl-3,6-diphenyl-hexahydro-furo-[3,4-c]pyrrol-4-one","Crystal Structure Report Archive","2001","","","531","","","","","0.71073","MoKα","","0.0697","0.0445","","","0.1084","0.1182","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519315","24.7998","0.0005","16.6806","0.0003","24.9057","0.0005","90","","107.161","0.003","90","","9844.2","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H60 N4 O6 -","- C54 H60 N4 O6 -","- C432 H480 N32 O48 -","8","2","","Lhotak, P. L.; Stibor, I.; Hursthouse, Michael B.; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.","5,17-bis((6-methyl-2-pyridyl)amido)-25,26,27,28-tetrakis(propoxy)calix(4)arene","Crystal Structure Report Archive","2001","","","67","","","","","0.71073","MoKα","","0.1401","0.0626","","","0.1491","0.1796","","","","","","0.983","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519316","20.5733","0.0004","17.9742","0.0003","25.3788","0.0005","90","","101.582","0.003","90","","9193.7","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H61 N4 O6 -","- C54 H61 N4 O6 -","- C432 H488 N32 O48 -","8","1","","Stibor, I.; Hursthouse, Michael B.; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.; Lhotak, P. L.","5,17-bis((2-pyridyl)methylamido)-25,26,27,28-tetrakis(propoxy)calix(4)arene","Crystal Structure Report Archive","2001","","","68","","","","","0.71073","MoKα","","0.2027","0.0692","","","0.1389","0.1866","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519317","8.461","0.0006","8.461","0.0006","16.988","0.0006","90","","90","","120","","1053.21","0.11","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10 H10 Fe I3 -","- C12 H12 Fe I3 -","- C36 H36 Fe3 I9 -","3","0.166667","","Bricklebank, Neil; Gelbrich, Thomas; Hursthouse, Michael B.","C10H10FeI3","Crystal Structure Report Archive","2001","","","831","","","","","0.71069","MoKα","","0.0613","0.06","","","0.1485","0.1516","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519318","7.9266","0.0004","9.6531","0.0005","10.3243","0.0006","79.14","0.02","79.79","0.02","80.26","0.04","755.97","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N8 O8 -","- C32 H32 N8 O8 -","- C32 H32 N8 O8 -","1","0.5","","Fallis, Ian A.; Gelbrich, Thomas; Hursthouse, Michael B.","C32H32N8O8","Crystal Structure Report Archive","2001","","","833","","","","","0.71073","MoKα","","0.0772","0.042","","","0.081","0.0884","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519319","19.1002","0.0002","21.7245","0.0003","29.1929","0.0004","90","","90","","90","","12113.4","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H60 Cl13 N O P2 Ru2 -","- C55 H60 Cl13 N O P2 Ru2 -","- C440 H480 Cl104 N8 O8 P16 Ru16 -","8","1","","Smith, Matin, B.; Gelbrich, Thomas; Hursthouse, Michael B.","C52H57NOP2Cl4Ru2 . 3CDCl3","Crystal Structure Report Archive","2001","","","835","","","","","0.71073","MoKα","","0.0838","0.049","","","0.0932","0.0995","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519320","12.8588","0.0002","10.7382","0.0002","23.1122","0.0004","90","","93.811","0.003","90","","3184.28","0.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C128 H176 N16 O16 S8 -","8","1","","Kilburn, J. D.; Hursthouse, Michael B.; Coles, Simon J.; Berry, M. B.; Patient, L.","3,5-Dimethyl-8-((p-toluenesulfonato)amino)-8-azabicyclo(3.2.1)oct-2-ene","Crystal Structure Report Archive","2001","","","87","","","","","0.71073","MoKα","","0.0492","0.0376","","","0.0928","0.0986","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519321","16.1733","0.0003","17.8443","0.0003","26.7","0.0005","77.52","0.003","77.237","0.003","83.124","0.003","7316.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.33 H40.67 Cl2.67 N O4 P -","- C17.3333 H40.6667 Cl2.66667 N O4 P -","- C208 H488 Cl32 N12 O48 P12 -","12","6","","Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S.; Light, Mark E.","Tetra-n-butylammonium dihydrogenphosphate dichloromethane solvate","Crystal Structure Report Archive","2001","","","105","","","","","0.71073","MoKα","","0.2638","0.1694","","","0.4281","0.4813","","","","","","1.577","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519322","7.5556","0.0003","8.0446","0.0003","22.9549","0.0008","90","","90","","90","","1395.24","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Hursthouse, Michael B.; Light, Mark E.","(2S*)-2-Hydroxy-2-((2S*,5R*)-5-(1-hydroxy-1-methylethyl)tetrahydrofuran-2-yl)- 1-phenylethanone","Crystal Structure Report Archive","2001","","","110","","","","","0.71073","MoKα","","0.0565","0.0507","","","0.1298","0.1368","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519323","11.839","0.002","8.0773","0.001","22.695","0.004","90","","91.84","0.03","90","","2169.1","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","","Hursthouse, Michael B.; Light, Mark E.","(1S*,4S*,5R*,8R*)-8-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-3,7- dioxabicyclo(3.3.0)octan-2-one","Crystal Structure Report Archive","2001","","","113","","","","","0.71073","MoKα","","0.2721","0.0864","","","0.2145","0.3345","","","","","","0.811","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519324","21.7299","0.0004","21.3998","0.0004","17.088","0.0004","90","","91.318","0.003","90","","7944.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H37 N O4 S -","- C16 H37 N O4 S -","- C256 H592 N16 O64 S16 -","16","4","","Hursthouse, Michael B.; Gale, Phil A.; Light, Mark E.","Tetrabutylammonium hydrogen sulfate","Crystal Structure Report Archive","2001","","","116","","","","","0.71073","MoKα","","0.1357","0.0735","","","0.2027","0.2369","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519325","23.8267","0.0004","12.9976","0.0003","22.1794","0.0005","90","","108.155","0.0012","90","","6526.8","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H76 F N O12 Si8 -","- C64 H76 F N O12 Si8 -","- C256 H304 F4 N4 O48 Si32 -","4","0.5","","Light, Mark E.; Hursthouse, Michael B.; Taylor, P. G.; Pourny, M.; Bassindale, A. R.","Tetra-n-butylammonium octaphenyloctasilasesquioxane fluoride clathrate","Crystal Structure Report Archive","2001","","","128","","","","","0.71073","MoKα","","0.056","0.0397","","","0.105","0.1134","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519326","7.8231","0.0002","12.9445","0.0003","17.3686","0.0004","90","","95.668","0.001","90","","1750.25","0.07","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H38 N2 O10 S -","- C36 H38 N2 O10 S -","- C72 H76 N4 O20 S2 -","2","1","","Light, Mark E.; Jimenez, J. L.; Hursthouse, Michael B.; Palacios, J. C.; Gordillo, R.; Clemente, F. R.; Cintas, P.; Babiano, R.; Avalos, M.","trans-3-(Tetra-O-acetyl-D-arabino-tetritol-1'-yl)-2-(2-phenyl-4-benzyl-1,3- dioxo-2,4-diazapentyl)-2-phenylthiirane","Crystal Structure Report Archive","2001","","","131","","","","","0.71073","MoKα","","0.0475","0.0418","","","0.1006","0.1037","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519327","7.4181","0.0001","16.6837","0.0003","27.9934","0.0005","90","","90","","90","","3464.5","0.1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O9 -","- C21 H16 O9 -","- C168 H128 O72 -","8","1","","Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A.","Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-(methylenedioxy-O,O')-3- (3,4-methylenedioxyphenyl)indan-2-carboxylate","Crystal Structure Report Archive","2001","","","69","","","","","0.71073","MoKα","","0.1285","0.0501","","","0.0858","0.1049","","","","","","0.921","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519328","14.1493","0.0004","17.3003","0.0006","17.434","0.0007","90","","90","","90","","4267.6","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H24 O9 -","- C23 H24 O9 -","- C184 H192 O72 -","8","1","","Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A.","Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-dimethoxy-3-(3,4-dimethyloxyphenyl) indan-2-carboxylate","Crystal Structure Report Archive","2001","","","70","","","","","0.71073","MoKα","","0.0881","0.0468","","","0.1039","0.1213","","","","","","0.968","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519329","9.911","0.002","29.932","0.006","9.907","0.002","90","","104.2","0.03","90","","2849.2","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 F3 N O2 P Pd -","- C33 H25 F3 N O2 P Pd -","- C132 H100 F12 N4 O8 P4 Pd4 -","4","1","","Scordia, V. J. M.; Hursthouse, Michael B.; Gelbrich, Thomas; Coles, Simon J.; Cazin, C. S. J.; Bedford, R. B.","(2-(Phenyliminomethyl)phenyl)-(trifluoroacetato)-(triphenylphosphine)- palladium","Crystal Structure Report Archive","2001","","","73","","","","","0.71073","MoKα","","0.0493","0.0429","","","0.1154","0.1188","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519330","11.024","0.0006","12.5301","0.0008","21.163","0.0014","90","","96.56","0.002","90","","2904.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 Cu N4 O10 -","- C28 H26 Cl2 Cu N4 O10 -","- C112 H104 Cl8 Cu4 N16 O40 -","4","1","","Amoroso, Angelo; Gelbrich, Thomas; Hursthouse, Michael B.","C28H26Cl2CuN4O10","Crystal Structure Report Archive","2001","","","832","","","","","0.71073","MoKα","","0.0978","0.0626","","","0.1207","0.1285","","","","","","1.155","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519331","9.489","0.0009","9.4925","0.0009","27.4534","0.0005","91.483","0.003","88.321","0.003","73.52","0.004","2368.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N3 O2 -","- C30 H23 N3 O2 -","- C120 H92 N12 O8 -","4","2","","Coles, Simon J.; Chapman, C. P.; Hursthouse, Michael B.; Light, Mark E.; Tizzard, G. J.; Camiolo, S.; Gale, Phil A.","N,N'-Diphenyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide","Crystal Structure Report Archive","2001","","","111","","","","","0.71073","MoKα","","0.1269","0.0622","","","0.1249","0.1625","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519332","16.438","0.0003","7.8238","0.0001","18.128","0.0003","90","","109.97","0.003","90","","2191.22","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 N4 O6 S2 -","- C52 H44 N4 O6 S2 -","- C104 H88 N8 O12 S4 -","2","0.5","","Hursthouse, Michael B.; Light, Mark E.; Chapman, C. P.; Camiolo, S.; Gale, Phil A.","5,10-dioxo-N,N',1,2,6,7-hexaphenyl-5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-3, 8-dicarboxamide dimethylsulfoxide solvate","Crystal Structure Report Archive","2001","","","112","","","","","0.71073","MoKα","","0.1481","0.058","","","0.1088","0.1363","","","","","","0.947","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519333","12.677","0.003","16.058","0.003","16.085","0.003","110.32","0.03","93.16","0.03","96.36","0.03","3036.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 P4 Ru Si2 -","- C66 H66 P4 Ru Si2 -","- C132 H132 P8 Ru2 Si4 -","2","1","","Hursthouse, Michael B.; Light, Mark E.; Coles, Simon J.; Coe, B. J.; Brookes, N. J.; Anderson, J. N.","trans-bis(1,2-bis(Diphenylphosphino)ethane-Io2P,P')-bis(4-(trinethylsilyl) buta-1,3-diynyl)-ruthenium(ii)","Crystal Structure Report Archive","2001","","","133","","","","","0.71073","MoKα","","0.0753","0.046","","","0.1093","0.1216","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519334","21.2704","0.0008","7.5887","0.0002","11.2915","0.0003","90","","102.234","0.001","90","","1781.22","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O Si -","- C18 H26 N2 O Si -","- C72 H104 N8 O4 Si4 -","4","1","","Gelbrich, Thomas; Patient, Lee; Hursthouse, Michael B.; Kilburn, Jeremy D.","(3a-Methyl-1a-trimethylsilanyl-hexahydro-4,5-diaza-cyclopropa[c]pentalen-5-yl) -phenyl-methanone","Crystal Structure Report Archive","2001","","","532","","","","","0.71073","MoKα","","0.0889","0.049","","","0.1003","0.1115","","","","","","0.954","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519335","10.4777","0.0004","10.9221","0.0003","19.7314","0.0008","97.151","0.0016","92.364","0.0015","97.763","0.0015","2216.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H54 Cl2 Ir N2 O3 P -","- C47 H54 Cl2 Ir N2 O3 P -","- C94 H108 Cl4 Ir2 N4 O6 P2 -","2","1","","Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.","C45H45N2OPIr . 2CHCl3 . CH2Cl2 . 2Cl","Crystal Structure Report Archive","2001","","","723","","","","","0.71073","MoKα","","0.0965","0.0627","","","0.1282","0.1374","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519336","7.7318","0.0015","27.917","0.006","16.43","0.003","90","","102.48","0.03","90","","3462.6","1.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C168 H200 N8 O16 -","8","2","","Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.","C21H25NO2","Crystal Structure Report Archive","2001","","","779","","","","","0.71073","MoKα","","0.1774","0.1084","","","0.2424","0.2832","","","","","","1.015","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519337","31.7811","0.001","4.5281","0.0001","14.8008","0.0006","90","","99.814","0.0011","90","","2098.78","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F4 I2 N4 O -","- C19 H14 F4 I2 N4 O -","- C76 H56 F16 I8 N16 O4 -","4","0.5","","Plater, John M. J.; Gelbrich, Thomas; Hursthouse, Michael B.","C19H14F4I2N4O","Crystal Structure Report Archive","2001","","","827","","","","","0.71073","MoKα","","0.0333","0.0288","","","0.0712","0.0737","","","","","","0.98","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519338","5.0297","0.0001","10.2309","0.0004","11.1","0.0004","78.063","0.001","79.047","0.002","83.871","0.002","547.3","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F4 I2 N4 O2 -","- C20 H14 F4 I2 N4 O2 -","- C20 H14 F4 I2 N4 O2 -","1","0.5","","Plater, John M. J.; Gelbrich, Thomas; Hursthouse, Michael B.","C20H14F4N4I2O2","Crystal Structure Report Archive","2001","","","828","","","","","0.71073","MoKα","","0.0355","0.0341","","","0.0895","0.0909","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519339","25.1399","0.0009","4.5715","0.0001","25.8949","0.0012","90","","92.376","0.0015","90","","2973.47","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H14 F8 I4 N4 O -","- C25 H14 F8 I4 N4 O -","- C100 H56 F32 I16 N16 O4 -","4","0.5","","Plater, John M. J.; Gelbrich, Thomas; Hursthouse, Michael B.","C13H14N4O . 2C4F4I","Crystal Structure Report Archive","2001","","","829","","","","","0.71073","MoKα","","0.0745","0.0392","","","0.0556","0.0606","","","","","","0.923","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519340","9.9133","0.0002","11.0918","0.0004","11.8105","0.0004","83.123","0.001","66.048","0.0012","83.667","0.0012","1175.54","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H24 Fe2 O2 -","- C34 H24 Fe2 O2 -","- C68 H48 Fe4 O4 -","2","1","","Butler, Ian. R.; Gelbrich, Thomas; Hursthouse, Michael B.","C34H24Fe2O2","Crystal Structure Report Archive","2001","","","830","","","","","0.71073","MoKα","","0.0615","0.0494","","","0.1079","0.1121","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519341","11.628","0.002","16.911","0.003","17.514","0.004","90","","94.92","0.03","90","","3431.3","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N2 P Pd S -","- C16 H16 Cl N2 P Pd S -","- C128 H128 Cl8 N16 P8 Pd8 S8 -","8","2","","Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B.","C16H16ClN2PPdS","Crystal Structure Report Archive","2001","","","1024","","","","","0.71073","MoKα","","0.0456","0.0326","","","0.0739","0.0792","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519342","25.5294","0.0005","18.9718","0.0005","9.713","0.0002","90","","103.111","0.002","90","","4581.75","0.18","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H31 N3 O2 -","- C26 H31 N3 O2 -","- C208 H248 N24 O16 -","8","2","","Coles, Simon J.; Chapman, C. P.; Light, Mark E.; Tizzard, G. J.; Camiolo, S.; Gale, Phil A.; Hursthouse, Michael B.","N,N'-Di-n-butyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide","Crystal Structure Report Archive","2001","","","114","","","","","0.71073","MoKα","","0.0709","0.0567","","","0.1438","0.1555","","","","","","1.082","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519343","11.0425","0.0002","15.4028","0.0003","16.0274","0.0004","90","","90","","90","","2726.03","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F6 N2 O4 Pd2 -","- C24 H24 F6 N2 O4 Pd2 -","- C96 H96 F24 N8 O16 Pd8 -","4","1","","Light, Mark E.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Coles, Simon J.; Cazin, C. S. J.; Bedford, R. B.","bis(I(1/4)2-Trifluoroacetato-O,O')-bis(2-((isopropylimino)methyl)phenyl-C,N) -di-palladium","Crystal Structure Report Archive","2001","","","126","","","","","0.71073","MoKα","","0.0343","0.0296","","","0.0671","0.0688","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519344","37.557","0.007","7.0816","0.0014","22.498","0.004","90","","124.86","0.03","90","","4910","2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 O8 -","- C29 H27 O8 -","- C232 H216 O64 -","8","1","","Warriner, C. N.; Hursthouse, Michael B.; Gale, Phil A.; Coles, Simon J.","Tetramethyl biphenyl-3,5,3',5'-tetracarboxylate benzene solvate","Crystal Structure Report Archive","2001","","","132","","","","","0.71073","MoKα","","0.0946","0.0527","","","0.122","0.1481","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519345","9.2463","0.0018","33.461","0.007","7.2285","0.0014","90","","90","","90","","2236.4","0.8","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Donnio, B; Nguuyen, H. L.; Huck, D. M.; Hursthouse, Michael B.; Coles, Simon J.; Bruce, D. W.","4-Methoxy-2aE-stilbazole","Crystal Structure Report Archive","2001","","","134","","","","","0.71073","MoKα","","0.0722","0.0576","","","0.1372","0.1471","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519346","29.4892","0.0005","10.7143","0.0002","34.1321","0.0006","90","","97.653","0.004","90","","10688.2","0.3","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C70 H74 Cl2 Cu3 F12 N4 O12 P6 S6 -","- C70 H74 Cl2 Cu3 F12 N4 O12 P6 S6 -","- C280 H296 Cl8 Cu12 F48 N16 O48 P24 S24 -","4","0.5","","Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.","C70H74Cl2Cu3N4O12P4S6 . 2PF6","Crystal Structure Report Archive","2001","","","724","","","","","0.71073","MoKα","","0.1439","0.0666","","","0.1451","0.1651","","","","","","0.871","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519347","7.2689","0.0015","7.8204","0.0016","15.025","0.003","103.85","0.03","99.4","0.03","92.57","0.03","815","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 F3 N2 O5 S -","- C14 H19 F3 N2 O5 S -","- C28 H38 F6 N4 O10 S2 -","2","1","","Jones, Ray; Coles, Simon J.; Hursthouse, Michael B.","C14H19F3N2O5S","Crystal Structure Report Archive","2001","","","778","","","","","0.71073","MoKα","","0.1347","0.0613","","","0.1305","0.1594","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519348","7.6905","0.0015","9.93","0.002","9.0526","0.0018","90","","97.07","0.03","90","","686.1","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Littlechild, Jenny A.; Coles, Simon J.; Hursthouse, Michael B.","C15H17NO4","Crystal Structure Report Archive","2001","","","780","","","","","0.71073","MoKα","","0.0779","0.0626","","","0.1451","0.1562","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519349","9.725","0.003","14.576","0.004","8.545","0.004","93.58","0.03","90.85","0.04","103.34","0.02","1175.8","0.7","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 As2 N4 S4 -","- C21 H18 As2 N4 S4 -","- C42 H36 As4 N8 S8 -","2","1","","Davies, J. E.; Hursthouse, Michael B.; Coles, Simon J.; Joy, J. S.; Paver, M. A.","bis(bis(2-Pyridylthio)arsino)methane","Crystal Structure Report Archive","2001","","","82","","","","","0.71069","MoKα","","0.0752","0.0458","","","0.0918","0.1027","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519350","9.1615","0.0001","10.1143","0.0002","18.1371","0.0005","88.586","0.001","80.238","0.001","70.995","0.002","1565.16","0.06","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H51 Na3 O15 Si3 -","- C18 H51 Na3 O15 Si3 -","- C36 H102 Na6 O30 Si6 -","2","2","","Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B.","C36H102Na6O30Si6","Crystal Structure Report Archive","2001","","","826","","","","","0.71073","MoKα","","0.0389","0.0338","","","0.0866","0.0895","","","","","","0.935","","","","has coordinates","183088","2020-10-21","18:00:00",""
"1519351","21.0715","0.0003","8.1962","0.0001","35.2981","0.0007","90","","95.219","0.001","90","","6070.93","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N2 P Pd S -","- C20 H17 Cl2 N2 P Pd S -","- C240 H204 Cl24 N24 P12 Pd12 S12 -","12","3","","Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.","C20H17Cl2N2PPdS","Crystal Structure Report Archive","2001","","","1014","","","","","0.71073","MoKα","","0.0835","0.0452","","","0.0883","0.0988","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519352","5.1549","0.0002","31.1802","0.0012","5.4853","0.0003","90","","90.609","0.002","90","","881.61","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 Br N -","- C19 H26 Br N -","- C38 H52 Br2 N2 -","2","1","","Hii, Mimi K. K.; Horton, Peter N.; Hursthouse, Michael B.","C19H26NBr","Crystal Structure Report Archive","2001","","","1015","","","","","0.71073","MoKα","","0.0425","0.0389","","","0.0883","0.09","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519353","9.7364","0.0019","13.149","0.003","15.993","0.003","90.42","0.03","99.76","0.03","91.45","0.03","2017.1","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.25 H18.5 Cl1.5 N2 P Pd S -","- C20.25 H18.5 Cl1.5 N2 P Pd S -","- C81 H74 Cl6 N8 P4 Pd4 S4 -","4","2","","Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B.","C40H36Cl2N4P2Pd2S2 . 0.5(CH2Cl2)","Crystal Structure Report Archive","2001","","","1025","","","","","0.71073","MoKα","","0.1197","0.0548","","","0.1186","0.1394","","","","","","1.059","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519354","8.1662","0.0007","14.3524","0.0014","12.093","0.001","90","","109.59","0.004","90","","1335.3","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O8 -","- C16 H10 O8 -","- C64 H40 O32 -","4","1","","Hursthouse, Michael B.; Holmes, R.; Coles, Simon J.; Price, D. J.","Biphenyl-3,3',5,5'-tetracarboxylic acid","Crystal Structure Report Archive","2001","","","119","","","","","0.71073","MoKα","","0.1848","0.0669","","","0.1468","0.2034","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519355","9.2498","0.0018","9.7081","0.0019","17.738","0.004","93.62","0.03","90.61","0.03","104.26","0.03","1540.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H15 Cl3 N2 Si Sn -","- C9 H15 Cl3 N2 Si Sn -","- C36 H60 Cl12 N8 Si4 Sn4 -","4","2","","Hursthouse, Michael B.; Coles, Simon J.; Steed, J. W.; Jones, C.; Coombs, D. L.; Calder, R. J.; Aldridge, Simon","Trichloro-(6-trimethylsilylamido-2-picolyl)-tin","Crystal Structure Report Archive","2001","","","127","","","","","0.71073","MoKα","","0.0386","0.0307","","","0.0769","0.0812","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519356","6.9597","0.0014","26.611","0.005","12.101","0.002","90","","105.14","0.03","90","","2163.4","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N4 O2 -","- C22 H28 N4 O2 -","- C88 H112 N16 O8 -","4","1","","Bradley, M.; Hursthouse, Michael B.; Russell, A.; Light, Mark E.; Mandair, G. S.","2-(4-Methoxycarbonylphenyl)-3-(2,4,4-trimethyl-2-pentylamino)imidazo(1,2-a) pyrimidine","Crystal Structure Report Archive","2001","","","129","","","","","0.71073","MoKα","","0.1413","0.065","","","0.1642","0.2106","","","","","","0.941","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519357","12.6651","0.0005","13.6078","0.0007","12.3362","0.0005","90","","95.807","0.003","90","","2115.16","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O2 -","- C22 H28 N4 O2 -","- C88 H112 N16 O8 -","4","1","","Bradley, M.; Hursthouse, Michael B.; Russell, A.; Light, Mark E.; Mandair, G. S.","3-(4-Methoxycarbonylphenyl)-2-(2,4,4-trimethyl-2-pentylamino)imidazo-(1,2-a) pyrimidine","Crystal Structure Report Archive","2001","","","130","","","","","0.71073","MoKα","","0.0644","0.0443","","","0.1081","0.1216","","","","","","0.968","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519358","14.291","0.003","11.709","0.002","13.341","0.003","90","","115.86","0.03","90","","2008.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 O2 S Si -","- C18 H28 N2 O2 S Si -","- C72 H112 N8 O8 S4 Si4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Berry, M. B.; Patient, L.; Kilburn, J. D.","1-Methyl-3-(methylidene)-7-((p-toluenesulfonato)amino)-4-(trimethylsilyl)-7- azabicyclo(2.2.1)heptane","Crystal Structure Report Archive","2001","","","85","","","","","0.71073","MoKα","","0.1251","0.0691","","","0.1625","0.1942","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519359","10.579","0.002","17.772","0.004","10.1254","0.0016","90","","93.545","0.006","90","","1900","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Hursthouse, Michael B.; Coles, Simon J.; Desvergne, J. -P.; Bouas-Laurent, H.; Tucker, J. H. R.; McSkimming, G.; Light, Mark E.","4,13-bis(2-(9-Anthryloxy)ethyl)-4,13-diaza-[18]crown-6","Crystal Structure Report Archive","2001","","","91","","","","","0.71073","MoKα","","0.3258","0.0788","","","0.128","0.1988","","","","","","0.869","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519360","7.4038","0.0005","7.567","0.0006","10.7531","0.0011","89.924","0.004","72.445","0.004","73.549","0.006","548.53","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N2 O5 -","- C11 H10 N2 O5 -","- C22 H20 N4 O10 -","2","1","","Jones, Ray C. F.; Horton, Peter N.; Hursthouse, Michael B.","C11H10N2O5","Crystal Structure Report Archive","2002","","","943","","","","","0.71073","MoKα","","0.1517","0.0759","","","0.1387","0.1693","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519456","18.9979","0.0013","22.113","0.0011","17.9782","0.001","90","","91.571","0.002","90","","7549.8","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 F N7 O10 -","- C36 H48 F N7 O10 -","- C288 H384 F8 N56 O80 -","8","2","","Thomas, G. L.; Navakhun, K.; Frey, Jeremy G.; Gale, Phil A.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.","bis(N,N'-bis(3,5-dinitrophenyl)isophthalamide)tetra-n-butylammoniumfluoride)","Crystal Structure Report Archive","2002","","","29","","","","","0.71073","MoKα","","0.22","0.1121","","","0.2974","0.3545","","","","","","1.089","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519457","5.4079","0.0009","16.685","0.003","16.587","0.003","90","","89.04","","90","","1496.4","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","","Palacios, J. C.; Lopez, I.; Jimenez, J. L.; Cintas, P.; Diaz, J.; Avalos, M.; Babiano, R.; Hursthouse, Michael B.; Light, Mark E.","2-(Acetylmethylene)-3,5-diphenyl-1,3-thiazolidin-4-one","Crystal Structure Report Archive","2002","","","49","","","","","0.71073","MoKα","","0.1122","0.0824","","","0.2176","0.2481","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519458","6.1644","0.0001","10.8967","0.0003","24.7631","0.0007","90","","93.383","0.001","90","","1660.48","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C80 H76 N4 O8 S4 -","4","1","","Palacios, J. C.; Lopez, I.; Jimenez, J. L.; Avalos, M.; Babiano, R.; Cintas, P.; Hursthouse, Michael B.; Light, Mark E.","5-Acetyl-1-methyl-2,4-diphenyl-7-thia-2-azabicyclo(2.2.1)heptan-3-one","Crystal Structure Report Archive","2002","","","50","","","","","0.71073","MoKα","","0.0506","0.0352","","","0.081","0.0867","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519459","5.9865","0.0002","11.5083","0.0004","9.1055","0.0003","90","","98.287","0.001","90","","620.77","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 Br N Pd -","- C3 H8 Br N Pd -","- C12 H32 Br4 N4 Pd4 -","4","1","","Boag, Neil; Coles, Simon J.; Hursthouse, Michael B.","C3H8BrNPd","Crystal Structure Report Archive","2002","","","884","","","","","0.71073","MoKα","","0.0343","0.0334","","","0.0864","0.0872","","","","","","1.145","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519460","17.1687","0.0003","6.0927","0.0001","18.4778","0.0004","90","","90","","90","","1932.85","0.06","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C88 H112 N8 O8 -","4","1","","Wood, Mark E.; Coles, Simon J.; Hursthouse, Michael B.","C11H14NO","Crystal Structure Report Archive","2002","","","896","","","","","0.71073","MoKα","","0.0559","0.0407","","","0.1057","0.1156","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519461","13.0933","0.0005","10.344","0.0004","15.4112","0.0007","90","","111.319","0.002","90","","1944.42","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N2 O2 -","- C26 H20 Fe N2 O2 -","- C104 H80 Fe4 N8 O8 -","4","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C26H20FeN2O2","Crystal Structure Report Archive","2002","","","907","","","","","0.71073","MoKα","","0.0511","0.0357","","","0.0844","0.092","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519462","5.9237","0.0001","10.5721","0.0002","22.1342","0.0004","90","","95.063","0.001","90","","1380.77","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Fe N O -","- C18 H15 Fe N O -","- C72 H60 Fe4 N4 O4 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C18H15FeNO","Crystal Structure Report Archive","2002","","","912","","","","","0.71073","MoKα","","0.0382","0.0306","","","0.0761","0.0796","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519463","8.656","0.0002","10.2951","0.0002","25.0197","0.0005","82.829","0.001","88.605","0.001","73.299","0.001","2118.7","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H48 Cr2 N12 S32 -","- C66 H48 Cr2 N12 S32 -","- C66 H48 Cr2 N12 S32 -","1","0.5","","Turner, Scott S.; Horton, Peter N.; Hursthouse, Michael B.","C66H48Cr2N12S32","Crystal Structure Report Archive","2002","","","928","","","","","0.71073","MoKα","","0.0992","0.0684","","","0.1664","0.1887","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519464","10.7863","0.0009","18.4652","0.0015","19.0801","0.0019","68.711","0.004","81.679","0.005","82.351","0.007","3490.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H96 Cl40 O28 Si8 -","- C104 H96 Cl40 O28 Si8 -","- C104 H96 Cl40 O28 Si8 -","1","0.5","","Taylor, Peter G.; Coles, Simon J.; Hursthouse, Michael B.","C104H96Cl40O28Si8","Crystal Structure Report Archive","2002","","","936","","","","","0.71073","MoKα","","0.357","0.0794","","","0.1098","0.168","","","","","","0.859","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519465","10.6038","0.0012","11.3298","0.0014","19.444","0.003","86.132","0.005","81.457","0.005","68.06","0.012","2142.6","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H48 O8 Si8 -","- C32 H48 O8 Si8 -","- C64 H96 O16 Si16 -","2","1","","Taylor, Peter G.; Horton, Peter N.; Hursthouse, Michael B.","C32H48O8Si8","Crystal Structure Report Archive","2002","","","937","","","","","0.71073","MoKα","","0.1995","0.0751","","","0.1505","0.1901","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519466","11.0968","0.0004","11.1517","0.0004","11.9917","0.0005","102.233","0.002","95.688","0.002","92.374","0.003","1440.14","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl3 Fe N2 O5 -","- C30 H27 Cl3 Fe N2 O5 -","- C60 H54 Cl6 Fe2 N4 O10 -","2","1","","Warriner, C. N.; Denuault, G.; Gale, Phil A.; Horton, Peter N.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.","2-(N-Ferrocenylcarbamoyl)-3,4-diphenylpyrrole-5-carboxylic acid","Crystal Structure Report Archive","2002","","","26","","","","","0.71073","MoKα","","0.0746","0.0551","","","0.1407","0.1542","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519467","9.3133","0.0003","15.4441","0.0004","9.8424","0.0003","90","","90","","90","","1415.69","0.07","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.","(5,2'-Dimethyl-5'-oxo-octahydro-[2, 2']bifuranyl-5-yl)-hydroxy-acetic acid ethyl ester","Crystal Structure Report Archive","2002","","","27","","","","","0.71073","MoKα","","0.0435","0.034","","","0.0767","0.081","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519468","8.8334","0.0002","15.6053","0.0004","19.0971","0.0007","90","","102.447","0.001","90","","2570.62","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N3 O3 -","- C32 H25 N3 O3 -","- C128 H100 N12 O12 -","4","1","","Warriner, C. N.; Camiolo, S.; Gale, Phil A.; Hursthouse, Michael B.; Light, Mark E.","3,4-Diphenyl-furan-2,5-dicarboxylic acid bis-phenylamide acetonitrile solvate","Crystal Structure Report Archive","2002","","","28","","","","","0.71073","MoKα","","0.0763","0.0435","","","0.0987","0.1127","","","","","","0.965","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519469","8.2682","0.0002","13.1798","0.0004","16.1482","0.0005","90","","90","","90","","1759.72","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cl2 F4 N4 O3 P3 -","- C9 H15 Cl2 F4 N4 O3 P3 -","- C36 H60 Cl8 F16 N16 O12 P12 -","4","1","","Shaw, Robert. A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C9H15Cl2F4N4O3P3","Crystal Structure Report Archive","2002","","","874","","","","","0.71073","MoKα","","0.0408","0.0322","","","0.0746","0.0789","","","","","","0.918","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519470","15.65","0.0003","14.7771","0.0004","27.3245","0.0005","90","","102.417","0.002","90","","6171.3","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H61 As3 B F3 Fe N4 -","- C73 H61 As3 B F3 Fe N4 -","- C292 H244 As12 B4 F12 Fe4 N16 -","4","1","","Amoroso, Angelo; Coles, Simon J.; Hursthouse, Michael B.","C73H61As3BF3FeN4","Crystal Structure Report Archive","2002","","","879","","","","","0.71073","MoKα","","0.1309","0.0894","","","0.2464","0.2826","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519471","30.1313","0.0004","9.8927","0.0002","23.0654","0.0005","90","","118.397","0.001","90","","6048","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl2 O9.5 P Zn0.5 -","- C28 H34 Cl2 O9.5 P Zn0.5 -","- C224 H272 Cl16 O76 P8 Zn4 -","8","1","","Bell, Norman A.; Coles, Simon J.; Hursthouse, Michael B.","C27H33Cl2O9PZn","Crystal Structure Report Archive","2002","","","882","","","","","0.71073","MoKα","","0.06","0.0428","","","0.104","0.1127","","","","","","1.026","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519472","11.7172","0.0002","12.5417","0.0002","13.7674","0.0002","69.775","0.0006","69.746","0.0006","70.608","0.0007","1728.45","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H38 I2 O11 P Zn -","- C29 H38 I2 O11 P Zn -","- C58 H76 I4 O22 P2 Zn2 -","2","1","","Bell, Norman A.; Coles, Simon J.; Hursthouse, Michael B.","C29H38I2O11PZn","Crystal Structure Report Archive","2002","","","883","","","","","0.71073","MoKα","","0.0517","0.0419","","","0.1047","0.1111","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519473","10.9353","0.0003","11.1412","0.0002","15.526","0.0004","81.631","0.001","82.691","0.001","86.12","0.001","1853.89","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H40 Cr N6 S36 -","- C56 H40 Cr N6 S36 -","- C56 H40 Cr N6 S36 -","1","0.5","","Turner, Scott S.; Horton, Peter N.; Hursthouse, Michael B.","C56H40CrN6S36","Crystal Structure Report Archive","2002","","","927","","","","","0.71073","MoKα","","0.0749","0.0379","","","0.0757","0.0862","","","","","","1.003","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519474","19.403","0.002","8.9915","0.0011","17.855","0.002","90","","93.313","0.004","90","","3109.8","0.6","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H40 N2 O8 -","- C32 H40 N2 O8 -","- C128 H160 N8 O32 -","4","1","","Jones, Ray C.F.; Horton, Peter N.; Hursthouse, Michael B.","C32H40N2O8","Crystal Structure Report Archive","2002","","","941","","","","","0.71073","MoKα","","0.1777","0.0942","","","0.2282","0.2782","","","","","","0.98","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519475","15.0361","0.0005","11.7861","0.0003","10.4725","0.0002","90","","100.528","0.001","90","","1824.66","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N5 O2 -","- C19 H19 N5 O2 -","- C76 H76 N20 O8 -","4","1","","Jones, Ray C.F.; Horton, Peter N.; Hursthouse, Michael B.","C19H19N5O2","Crystal Structure Report Archive","2002","","","942","","","","","0.71073","MoKα","","0.1001","0.0487","","","0.1048","0.1225","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519476","11.8293","0.0002","10.3312","0.0002","21.6318","0.0005","90","","100.203","0.001","90","","2601.84","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N3 O7 P3 -","- C22 H32 N3 O7 P3 -","- C88 H128 N12 O28 P12 -","4","1","","Shaw, R. A.; Kilic, A.; Besli, S.; Davies, David B.; Mayer, Thomas A.; Hursthouse, Michael B.; Coles, Simon J.","2,2-Dipenyl-4,6-cis-oxy(tetraethyleneoxy)-4,6-dimethoxycyclotriphosphazatriene","Crystal Structure Report Archive","2002","","","228","","","","","0.71073","MoKα","","0.0793","0.0518","","","0.1322","0.1525","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519477","10.5363","0.0002","15.0361","0.0003","17.3668","0.0003","90","","99.776","0.001","90","","2711.38","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 I N P Pd -","- C27 H45 I N P Pd -","- C108 H180 I4 N4 P4 Pd4 -","4","1","","Cazin, C. S. J.; Bedford, R. B.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Light, Mark E.; Coles, Simon J.","(Tricyclohexylphosphine)-iodo-(2-((dimethylamino)methyl)phenyl-C,N)-palladium","Crystal Structure Report Archive","2002","","","40","","","","","0.71073","MoKα","","0.0513","0.0385","","","0.0951","0.1026","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519478","9.3727","0.0009","19.144","0.0015","20.2492","0.0019","90","","101.41","","90","","3561.5","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 F3 N2 O3 Pd -","- C15 H20 F3 N2 O3 Pd -","- C120 H160 F24 N16 O24 Pd8 -","8","2","","Cazin, C. S. J.; Bedford, R. B.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Light, Mark E.; Coles, Simon J.","(Morpholine-N)-trifluoroacetato-O)-(2-((dimethylamino)methyl)phenyl-C,N)- palladium","Crystal Structure Report Archive","2002","","","41","","","","","0.71073","MoKα","","0.0682","0.0535","","","0.1097","0.1147","","","","","","1.283","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519479","11.8293","0.0002","10.3312","0.0002","21.6318","0.0005","90","","100.203","0.001","90","","2601.84","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N3 O7 P3 -","- C22 H32 N3 O7 P3 -","- C88 H128 N12 O28 P12 -","4","1","","Shaw, R. A.; Besli, S.; Kilic, A.; Davies, David B.; Mayer, Thomas A.; Hursthouse, Michael B.; Coles, Simon J.","2,2-Dipenyl-4,6-cis-oxy(tetraethyleneoxy)-4,6-dimethoxycyclotriphosphazatriene","Crystal Structure Report Archive","2002","","","43","","","","","0.71073","MoKα","","0.0793","0.0518","","","0.1322","0.1525","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519480","20.1599","0.001","11.7656","0.0006","8.7964","0.0005","90","","90","","90","","2086.45","0.19","150","2","150","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C12 H16 Cl F8 N4 O4 P3 -","- C12 H16 Cl F8 N4 O4 P3 -","- C48 H64 Cl4 F32 N16 O16 P12 -","4","0.5","","Shaw, Robert. A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C12H16ClF8N4O4P3","Crystal Structure Report Archive","2002","","","873","","","","","0.71073","MoKα","","0.0568","0.0413","","","0.0967","0.1053","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519481","9.7279","0.0002","10.2527","0.0002","20.2703","0.0004","90","","90","","90","","2021.7","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N O2 P -","- C22 H28 N O2 P -","- C88 H112 N4 O8 P4 -","4","1","","Hii, Mimi; Horton, Peter N.; Hursthouse, Michael B.","C22H28NO2P","Crystal Structure Report Archive","2002","","","888","","","","","0.71073","MoKα","","0.0497","0.0375","","","0.0783","0.0832","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519482","13.853","0.004","12.661","0.004","16.39","0.004","90","","105.906","0.002","90","","2764.6","1.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 Cl6 Fe I N2 -","- C19 H29 Cl6 Fe I N2 -","- C76 H116 Cl24 Fe4 I4 N8 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C19H29Cl6FeIN2","Crystal Structure Report Archive","2002","","","908","","","","","0.71073","MoKα","","0.1014","0.0563","","","0.1323","0.1527","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519483","12.1886","0.0002","9.5923","0.0001","31.3227","0.0005","90","","90","","90","","3662.15","0.09","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H27 Fe I N2 -","- C17 H27 Fe I N2 -","- C136 H216 Fe8 I8 N16 -","8","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C17H27FeIN2","Crystal Structure Report Archive","2002","","","909","","","","","0.71073","MoKα","","0.0363","0.0291","","","0.0588","0.0607","","","","","","1.147","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519484","10.0144","0.0003","7.2114","0.0002","24.3118","0.0007","90","","98.868","0.002","90","","1734.76","0.09","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al H12 O10 S -","- Al H12 O10 S -","- Al8 H96 O80 S8 -","8","1","","Jones, Ray C.F.; Coles, Simon J.; Hursthouse, Michael B.","AlH12O10S","Crystal Structure Report Archive","2002","","","938","","","","","0.71073","MoKα","","0.0293","0.0262","","","0.0775","0.0804","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519485","10.8992","0.0003","11.719","0.0004","11.503","0.0003","90","","94.63","0.002","90","","1464.46","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 F6 N2 P -","- C12 H17 F6 N2 P -","- C48 H68 F24 N8 P4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C12H17F6N2P","Crystal Structure Report Archive","2002","","","944","","","","","0.71073","MoKα","","0.0475","0.0372","","","0.0924","0.0983","","","","","","1.036","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519486","9.3589","0.0007","16.076","0.002","17.627","0.003","86.856","0.012","89.616","0.012","84.448","0.009","2635.6","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Fe N3 O2 -","- C35 H29 Fe N3 O2 -","- C140 H116 Fe4 N12 O8 -","4","2","","Warriner, C. N.; Denuault, G.; Gale, Phil A.; Horton, Peter N.; Coles, Simon J.; Light, Mark E.; Hursthouse, Michael B.","2-(N-Ferrocenylmethylcarbamoyl)-5-(N-phenylcarbamoyl)-3,4-diphenyl pyrrole","Crystal Structure Report Archive","2002","","","23","","","","","0.71073","MoKα","","0.0833","0.0591","","","0.138","0.1541","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519487","10.4568","0.0004","11.6216","0.0005","11.7872","0.0006","61.172","0.002","70.776","0.002","67.863","0.002","1143.03","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Fe N2 O3 -","- C29 H24 Fe N2 O3 -","- C58 H48 Fe2 N4 O6 -","2","1","","Warriner, C. N.; Denuault, G.; Gale, Phil A.; Horton, Peter N.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.","2-(N-Ferrocenylcarbamoyl)-5-(methoxycarbonyl)-3,4-diphenylpyrrole","Crystal Structure Report Archive","2002","","","24","","","","","0.71073","MoKα","","0.0651","0.0435","","","0.0963","0.1048","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519488","6.0816","0.0004","24.8503","0.0016","31.12","0.003","90","","90","","90","","4703.2","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H26 Fe N2 O3 -","- C30 H26 Fe N2 O3 -","- C240 H208 Fe8 N16 O24 -","8","1","","Warriner, C. N.; Denuault, G.; Gale, Phil A.; Horton, Peter N.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.","2-(N-Ferrocenylmethylcarbamoyl)-5-(methoxycarbonyl)-3,4-diphenylpyrrole","Crystal Structure Report Archive","2002","","","25","","","","","0.71073","MoKα","","0.1185","0.0573","","","0.1046","0.1243","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519489","14.7341","0.0002","11.2352","0.0002","19.3377","0.0003","90","","111.878","0.001","90","","2970.62","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 F3 N O2 P Pd -","- C29 H45 F3 N O2 P Pd -","- C116 H180 F12 N4 O8 P4 Pd4 -","4","1","","Cazin, C. S. J.; Bedford, R. B.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Light, Mark E.; Coles, Simon J.","(Tricyclohexylphosphine)-(trifluoroacetato-O)-(2-((dimethylamino)methyl) phenyl-C,N)-palladium","Crystal Structure Report Archive","2002","","","37","","","","","0.71073","MoKα","","0.0322","0.0284","","","0.0714","0.0745","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519490","13.9569","0.0002","14.6122","0.0002","20.0025","0.0004","90","","98.683","0.001","90","","4032.58","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Cl6 Fe P2 Ru -","- C43 H38 Cl6 Fe P2 Ru -","- C172 H152 Cl24 Fe4 P8 Ru4 -","4","1","","Roberts, D. J.; Fujimoto, N.; Butler, I. R.; Hursthouse, Michael B.; Coles, Simon J.","Benzylidene-dichloro-(1,1'-bis(diphenylphosphino)ferrocene)-ruthenium dichloromethane solvate","Crystal Structure Report Archive","2002","","","42","","","","","0.71073","MoKα","","0.0595","0.0385","","","0.0855","0.0947","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519491","8.9559","0.0004","9.0489","0.0004","24.0779","0.0013","85.016","0.002","88.263","0.001","87.538","0.002","1941.43","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N2 O2 S Si -","- C18 H28 N2 O2 S Si -","- C72 H112 N8 O8 S4 Si4 -","4","2","","Kilburn, J. D.; Hursthouse, Michael B.; Coles, Simon J.; Berry, M. B.; Patient, L.","7-(Methylidene)-8-((p-toluenesulfonato)amino)-1-(trimethylsily)-8- azabicyclo(3.2.1)octane","Crystal Structure Report Archive","2002","","","86","","","","","0.71073","MoKα","","0.1175","0.0984","","","0.243","0.255","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519492","12.383","0.0012","6.282","0.0004","18.9017","0.0016","90","","92.669","0.003","90","","1468.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Au Cl N O Si -","- C11 H15 Au Cl N O Si -","- C44 H60 Au4 Cl4 N4 O4 Si4 -","4","1","","Howell, Jim A. S.; Horton, Peter N.; Hursthouse, Michael B.","C11H15AuClNOSi","Crystal Structure Report Archive","2002","","","891","","","","","0.71073","MoKα","","0.1374","0.0534","","","0.0897","0.109","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519493","18.1092","0.0014","9.6385","0.0006","12.7261","0.0007","90","","102.1","0.002","90","","2171.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Fe N -","- C29 H27 Fe N -","- C116 H108 Fe4 N4 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C29H27FeN","Crystal Structure Report Archive","2002","","","911","","","","","0.71073","MoKα","","0.2344","0.1849","","","0.4408","0.4644","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519494","5.1449","0.0001","10.2655","0.0003","11.7941","0.0003","104.762","0.001","98.952","0.001","101.329","0.002","576.55","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 O2 Si -","- C10 H20 O2 Si -","- C20 H40 O4 Si2 -","2","1","","Taylor, Peter G.; Coles, Simon J.; Hursthouse, Michael B.","C10H20O2Si","Crystal Structure Report Archive","2002","","","933","","","","","0.71073","MoKα","","0.062","0.0532","","","0.1488","0.16","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519495","8.6272","0.0002","16.6121","0.0004","11.247","0.0003","90","","107.452","0.001","90","","1537.68","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 F6 N2 P -","- C13 H19 F6 N2 P -","- C52 H76 F24 N8 P4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C13H19F6N2P","Crystal Structure Report Archive","2002","","","945","","","","","0.71073","MoKα","","0.0515","0.0388","","","0.1004","0.1089","","","","","","1.029","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519499","20.3034","0.0011","10.1636","0.0005","13.457","0.0006","90","","104.057","0.002","90","","2693.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 N7 O10 -","- C30 H19 N7 O10 -","- C120 H76 N28 O40 -","4","1","","Camiolo, S.; Gale, Phil A.; Light, Mark E.; Hursthouse, Michael B.","3,4-Diphenyl-1H-pyrrole-2,5-dicarboxylic acid bis-[(3,5-dinitro-phenyl)-amide]","Crystal Structure Report Archive","2002","","","20","","","","","0.71073","MoKα","","0.1256","0.055","","","0.1074","0.1308","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519500","8.608","0.005","15.212","0.005","15.257","0.005","67.786","0.005","84.475","0.005","73.886","0.005","1776.8","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 N7 O12 S2 -","- C34 H31 N7 O12 S2 -","- C68 H62 N14 O24 S4 -","2","1","","Camiolo, S.; Gale, Phil A.; Light, Mark E.; Hursthouse, Michael B.","3,4-Diphenyl-1H-pyrrole-2,5-dicarboxylic acid bis-[(3,5-dinitro-phenyl)-amide] dimethylsulfoxide solvate","Crystal Structure Report Archive","2002","","","21","","","","","0.71069","MoKα","","0.1424","0.0559","","","0.0998","0.1242","","","","","","0.909","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519501","26.86","0.003","10.0338","0.0009","22.976","0.003","90","","124.152","0.011","90","","5124.4","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 Br N O2 P -","- C33 H25 Br N O2 P -","- C264 H200 Br8 N8 O16 P8 -","8","1","","Khan, S. M.; Hursthouse, Michael B.; Coles, Simon J.; Allen, D. W.","1-Amino-2-methyl-4-(triphenylphosphonio)anthraquinone bromide","Crystal Structure Report Archive","2002","","","80","","","","","0.71073","MoKα","","0.0726","0.0493","","","0.1085","0.1219","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519502","11.6573","0.0013","12.1713","0.0012","12.4865","0.0015","86.561","0.004","85.943","0.005","77.228","0.009","1721.7","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C33.33 H25.66 Cl0.66 Cu I2 N O2 Sb -","- C33.33 H25.66 Cl0.66 Cu I2 N O2 Sb -","- C66.66 H51.32 Cl1.32 Cu2 I4 N2 O4 Sb2 -","2","1","","Khan, S. M.; Hursthouse, Michael B.; Coles, Simon J.; Allen, D. W.","1-Amino-2-methyl-4-(triphenylstibonio)anthraquinone di-iodo-copper dichloromethane solvate","Crystal Structure Report Archive","2002","","","81","","","","","0.71073","MoKα","","0.1092","0.0574","","","0.1246","0.1455","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519503","26.86","0.003","10.0338","0.0009","22.976","0.003","90","","124.152","0.011","90","","5124.4","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 Br N O2 P -","- C33 H25 Br N O2 P -","- C264 H200 Br8 N8 O16 P8 -","8","1","","Allen, David W.; Coles, Simon J.; Hursthouse, Michael B.","C33H25BrNO2P","Crystal Structure Report Archive","2002","","","878","","","","","0.71073","MoKα","","0.0722","0.0489","","","0.1086","0.122","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519504","32.117","0.005","11.9924","0.0017","18.103","0.003","90","","104.85","0.009","90","","6739.7","1.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H39 Cd Cl2 O10 P -","- C29 H33 Cd Cl2 O10 P -","- C232 H264 Cd8 Cl16 O80 P8 -","8","1","","Bell, Norman A.; Horton, Peter N.; Hursthouse, Michael B.","C29H39CdCl2O10P","Crystal Structure Report Archive","2002","","","881","","","","","0.71073","MoKα","","0.1737","0.085","","","0.2024","0.2518","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519505","20.9579","0.0005","13.8067","0.0004","15.1219","0.0005","90","","116.493","0.001","90","","3916.2","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H10 Br2 O2 S5 -","- C17 H10 Br2 O2 S5 -","- C136 H80 Br16 O16 S40 -","8","2","","Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.","C17H10Br2O2S5","Crystal Structure Report Archive","2002","","","897","","","","","0.71073","MoKα","","0.0665","0.057","","","0.1449","0.1557","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519506","14.3182","0.0002","15.9481","0.0002","19.1468","0.0004","96.137","0.001","108.231","0.001","113.501","0.001","3671.06","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 O16 Si10 -","- C70 H70 O16 Si10 -","- C140 H140 O32 Si20 -","2","1","","Taylor, Peter G.; Coles, Simon J.; Hursthouse, Michael B.","C70H70O16Si10","Crystal Structure Report Archive","2002","","","932","","","","","0.71073","MoKα","","0.069","0.0461","","","0.1113","0.1236","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519507","10.838","0.0006","27.4492","0.0014","19.9239","0.0014","90","","92.81","0.002","90","","5920.1","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H90 O15 Si10 -","- C40 H90 O15 Si10 -","- C160 H360 O60 Si40 -","4","1","","Taylor, Peter G.; Horton, Peter N.; Hursthouse, Michael B.","C40H90O15Si10","Crystal Structure Report Archive","2002","","","935","","","","","0.71073","MoKα","","0.2406","0.0904","","","0.1831","0.2351","","","","","","0.954","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519508","10.6683","0.0003","10.8869","0.0003","29.919","0.0008","90","","90","","90","","3474.93","0.17","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C144 H160 N32 O16 -","8","1","","Jones, Ray C.F.; Horton, Peter N.; Hursthouse, Michael B.","C18H20N4O2","Crystal Structure Report Archive","2002","","","940","","","","","0.71073","MoKα","","0.0844","0.0452","","","0.0947","0.1103","","","","","","0.966","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519509","16.1973","0.0005","9.3378","0.0002","34.0104","0.0012","90","","90","","90","","5144","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H31 F6 N5 O4 P -","- C22 H31 F6 N5 O4 P -","- C176 H248 F48 N40 O32 P8 -","8","1","","Light, Mark E.; Camiolo, S.; Navakhun, K.; Gale, Phil A.; Hursthouse, Michael B.","3,4-Diphenyl-1H-pyrrole-2,5-dicarboxylic acid bis-[(2-amino-ethyl)-amide] hexafluorophosphate dihydrate","Crystal Structure Report Archive","2002","","","19","","","","","0.71073","MoKα","","0.1733","0.0651","","","0.1374","0.176","","","","","","0.927","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519510","13.408","0.005","15.847","0.005","17.023","0.005","73.042","0.005","74.733","0.005","68.046","0.005","3159.9","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H90 F N9 O10 -","- C62 H90 F N9 O10 -","- C124 H180 F2 N18 O20 -","2","1","","Camiolo, S.; Gale, Phil A.; Light, Mark E.; Hursthouse, Michael B.","bis(Tetra-n-butylammonium)N,N'-bis(3,5-dinitrophenyl)-3,4-diphenyl-1H- pyrrolate-2,5-dicarboxamide chloride","Crystal Structure Report Archive","2002","","","22","","","","","0.71069","MoKα","","0.4882","0.1467","","","0.27","0.4036","","","","","","0.812","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519511","8.1183","0.0007","5.928","0.0005","9.0398","0.0007","90","","113","0.007","90","","400.46","0.06","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","1","","Hursthouse, Michael B.; Brown, P. M.; Murphy, Patrick J.; Light, Mark E.","4,4-Dimethyl-2,5,8,10-tetraoxatricyclodecane","Crystal Structure Report Archive","2002","","","32","","","","","0.71073","MoKα","","0.0609","0.0374","","","0.068","0.0751","","","","","","0.995","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519512","9.2892","0.0002","9.6862","0.0002","16.786","0.0006","90","","92.111","0.001","90","","1509.33","0.07","120","2","120","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H45 F3 N O3 P Pd S -","- C28 H45 F3 N O3 P Pd S -","- C56 H90 F6 N2 O6 P2 Pd2 S2 -","2","1","","Gelbrich, Thomas; Hursthouse, Michael B.; Cazin, C. S. J.; Bedford, R. B.; Horton, Peter N.; Light, Mark E.; Coles, Simon J.","(Tricyclohexylphosphine)-(trifluoromethanesulfonato-O)-(2-((dimethylamino) methul)phenyl-C,N)-palladium","Crystal Structure Report Archive","2002","","","35","","","","","0.71073","MoKα","","0.042","0.0341","","","0.0734","0.0772","","","","","","0.903","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519513","19.38","0.002","13.2761","0.0011","13.0097","0.0011","90","","91.6","0.003","90","","3346","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N3 O5 -","- C14 H24 N3 O5 -","- C112 H192 N24 O40 -","8","2","","Horton, Peter N.; Hursthouse, Michael B.; Winters, A. L.; Nash, R.; Thornhill, A. J.; Hall, L. M.; Dennis, M.; Murphy, P. J.; Light, Mark E.","t-Butyl-2-(t-butoxycarbonyl)imino-4-hydroxymethyl-4,5-dihydro-3H-imidazole- 3-carboxylate","Crystal Structure Report Archive","2002","","","36","","","","","0.71073","MoKα","","0.1774","0.0849","","","0.2158","0.2612","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519514","5.788","0.005","17.499","0.005","19.463","0.005","90","0.005","90","0.005","90","0.005","1971.3","1.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 O3 P -","- C23 H23 O3 P -","- C92 H92 O12 P4 -","4","1","","Hancock, P.; Hursthouse, Michael B.; Murphy, P. J.; Light, Mark E.","Ethyl 3-(diphenylphosphinoyl)-3-phenylpropionate","Crystal Structure Report Archive","2002","","","39","","","","","0.71069","MoKα","","0.1106","0.0552","","","0.0939","0.1102","","","","","","0.981","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519515","9.4824","0.0002","22.6655","0.0006","10.0368","0.0003","90","","116.14","0.001","90","","1936.51","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 O2 S Si -","- C18 H28 N2 O2 S Si -","- C72 H112 N8 O8 S4 Si4 -","4","1","","Kilburn, J. D.; Hursthouse, Michael B.; Coles, Simon J.; Berry, M. B.; Patient, L.","6-(Methylidene)-8-((p-toluenesulfonato)amino)-4-(trimethylsilyl)-8- azabicyclo(3.2.1)octane","Crystal Structure Report Archive","2002","","","88","","","","","0.71073","MoKα","","0.0647","0.0474","","","0.1236","0.1348","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519516","15.5564","0.0005","7.3261","0.0002","11.668","0.0003","90","","104.863","0.001","90","","1285.28","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl I O4 S3 -","- C7 H6 Cl I O4 S3 -","- C28 H24 Cl4 I4 O16 S12 -","4","1","","Bricklebank, Neil; Horton, Peter N.; Hursthouse, Michael B.","C7H6ClIO4S3","Crystal Structure Report Archive","2002","","","898","","","","","0.71073","MoKα","","0.0384","0.034","","","0.0849","0.087","","","","","","1.104","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519517","15.3777","0.0002","19.8946","0.0002","21.2081","0.0003","72.76","","89.25","","83.24","","6152.05","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H90 O15 Si10 -","- C50 H90 O15 Si10 -","- C200 H360 O60 Si40 -","4","2","","Taylor, Peter G.; Coles, Simon J.; Hursthouse, Michael B.","C50H90O15Si10","Crystal Structure Report Archive","2002","","","931","","","","","0.71073","MoKα","","0.0968","0.0557","","","0.1307","0.1523","","","","","","1.013","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519518","17.4597","0.0007","17.3538","0.0007","28.3363","0.0014","90","","90","","90","","8585.7","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H36 O18 Si12 -","- C24 H36 O18 Si12 -","- C192 H288 O144 Si96 -","8","1","","Taylor, Peter G.; Horton, Peter N.; Hursthouse, Michael B.","C24H36O18Si12","Crystal Structure Report Archive","2002","","","934","","","","","0.71073","MoKα","","0.3015","0.1434","","","0.3186","0.3783","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519519","5.2947","0.0002","9.153","0.0004","16.0782","0.0007","90","","99.48","0.03","90","","768.55","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 O2 S3 -","- C6 H4 O2 S3 -","- C24 H16 O8 S12 -","4","1","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C6H4O2S3","Crystal Structure Report Archive","2003","","","1002","","","","","0.71073","MoKα","","0.0309","0.0258","","","0.0641","0.0667","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519520","11.3936","0.0003","10.8972","0.0003","19.5047","0.0007","90","","104.239","0.001","90","","2347.27","0.12","120","2","120","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H48 -","- C27 H48 -","- C108 H192 -","4","2","","Frampton, C. S.; Hursthouse, Michael B.; Coles, Simon J.","5alpha-cholestane - C27H48","Crystal Structure Report Archive","2002","","","51","","","","","0.71073","MoKα","","0.1185","0.0616","","","0.1117","0.1369","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519521","16.1333","0.0005","10.3709","0.0003","37.6445","0.0012","90","","97.982","0.001","90","","6237.5","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H35 Fe2 N3 O2 -","- C40 H35 Fe2 N3 O2 -","- C320 H280 Fe16 N24 O16 -","8","1","","Hursthouse, Michael B.; Warriner, C. N.; Horton, Peter N.; Light, Mark E.; Gale, Phil A.; Denuault, G.; Coles, Simon J.","2,5-bis(N-Ferrocenylmethylcarbamoyl)-3,4-diphenylpyrrole","Crystal Structure Report Archive","2002","","","52","","","","","0.71073","MoKα","","0.0929","0.0474","","","0.0817","0.0938","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519522","13.2385","0.0004","16.9228","0.0005","15.0678","0.0004","90","","99.944","0.002","90","","3324.96","0.17","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H48 Cl2 N4 O2 -","- C34 H48 Cl2 N4 O2 -","- C136 H192 Cl8 N16 O8 -","4","2","","Shi, A. J.; Hursthouse, Michael B.; Light, Mark E.; Carniolo, S.; Gale, Phil A.","Tetrabutylammonium N,N'-diphenyl-3,4-dichloropyrrolate-2,5-dicarboxamide","Crystal Structure Report Archive","2002","","","53","","","","","0.71073","MoKα","","0.0819","0.0476","","","0.0868","0.0984","","","","","","0.988","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1519523","15.3839","0.0004","8.0685","0.0002","24.1935","0.0009","90","","105.877","0.001","90","","2888.46","0.15","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 F6 N3 O7 P3 -","- C24 H30 F6 N3 O7 P3 -","- C96 H120 F24 N12 O28 P12 -","4","1","","Shaw, R. A.; Meyer, T. A.; Kilic, A.; Hursthouse, Michael B.; Davies, David B.; Coles, Simon J.; Besli, S.","2,2-Diphenyl-4,6-cis-oxy(tetraethyleneoxy)-4,6-bis(2,2,2-trifluoroethoxy) cyclotriphosphazatriene","Crystal Structure Report Archive","2002","","","62","","","","","0.71073","MoKα","","0.1175","0.0496","","","0.0922","0.1144","","","","","","0.977","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519524","8.2994","0.0002","11.9644","0.0003","15.7923","0.0003","103.627","0.001","99.058","0.002","105.028","0.001","1431.42","0.06","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H28 F6 N5 Ni2 O3 P S2 -","- C24 H28 F6 N5 Ni2 O3 P S2 -","- C48 H56 F12 N10 Ni4 O6 P2 S4 -","2","1","","Smith, Paul D.; Horton, Peter N.; Hursthouse, Michael B.","C24H28F6N5Ni2O3PS2","Crystal Structure Report Archive","2003","","","904","","","","","0.71073","MoKα","","0.0606","0.0457","","","0.1014","0.1073","","","","","","1.1","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519525","6.6845","0.0003","8.8858","0.0005","11.3118","0.0006","103.531","0.002","103.033","0.003","93.107","0.003","632.34","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C30 H26 N6 O4 -","2","1","","Jones, Ray C.F.; Coles, Simon J.; Hursthouse, Michael B.","C15H13N3O2","Crystal Structure Report Archive","2002","","","939","","","","","0.71073","MoKα","","0.063","0.0408","","","0.092","0.1018","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519526","5.101","0.0002","18.7081","0.0008","13.7459","0.0007","90","","90.676","0.002","90","","1311.68","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Br N2 O -","- C12 H19 Br N2 O -","- C48 H76 Br4 N8 O4 -","4","1","","Butts, Craig; Horton, Peter N.; Hursthouse, Michael B.","C12H19BrN2O","Crystal Structure Report Archive","2002","","","946","","","","","0.71073","MoKα","","0.0527","0.0387","","","0.092","0.0998","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519527","24.119","0.0006","21.7004","0.0003","21.815","0.0004","90","","90","","90","","11417.8","0.4","120","2","120","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C31 H60 F12 Fe2 N18 O16 S4 -","- C31 H54.5 F12 Fe2 N18 O16 S4 -","- C248 H436 F96 Fe16 N144 O128 S32 -","8","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C31H60F12Fe2N18O16S4","Crystal Structure Report Archive","2003","","","987","","","","","0.71073","MoKα","","0.0886","0.0606","","","0.1517","0.1662","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519528","16.6539","0.0004","8.8554","0.0002","56.7289","0.0017","90","","90","","90","","8366.2","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H33 Br N2 O -","- C20 H33 Br N2 O -","- C160 H264 Br8 N16 O8 -","8","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C20H33BrN2O","Crystal Structure Report Archive","2002","","","998","","","","","0.71073","MoKα","","0.1076","0.056","","","0.1272","0.1488","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519529","9.269","0.0003","9.9893","0.0003","14.5557","0.0006","106.773","0.002","92.343","0.002","116.871","0.002","1127.66","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H35 B F4 N2 -","- C21 H35 B F4 N2 -","- C21 H35 B F4 N2 -","1","0.5","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C21H35BF4N2","Crystal Structure Report Archive","2003","","","1001","","","","","0.71073","MoKα","","0.1024","0.0742","","","0.1946","0.2168","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519530","35.283","0.005","8.364","0.001","10.721","0.002","90","","90","","90","","3163.8","0.8","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C38 H40 O4 -","- C38 H40 O4 -","- C152 H160 O16 -","4","1","","Butler, Ian. R.; Horton, Peter N.; Hursthouse, Michael B.","C38H40O4","Crystal Structure Report Archive","2003","","","1008","","","","","0.71073","MoKα","","0.0634","0.054","","","0.1352","0.1429","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519531","8.8036","0.0003","14.3869","0.0004","13.4572","0.0004","90","","96.554","0.002","90","","1693.3","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl N O -","- C19 H26 Cl N O -","- C76 H104 Cl4 N4 O4 -","4","1","","Hii, Mimi; Horton, Peter N.; Hursthouse, Michael B.","C26H34N2O4Pd2","Crystal Structure Report Archive","2003","","","890","","","","","0.71073","MoKα","","0.0553","0.0389","","","0.0911","0.0992","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519532","8.877","0.001","17.679","0.003","15.711","0.003","90","","103.859","0.006","90","","2393.9","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Br2 Fe P2 -","- C22 H34 Br2 Fe P2 -","- C88 H136 Br8 Fe4 P8 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C22H34Br2FeP2","Crystal Structure Report Archive","2003","","","916","","","","","0.71073","MoKα","","0.0448","0.0346","","","0.0801","0.0847","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519533","15.9575","0.0004","8.8522","0.0002","13.7492","0.0003","90","","101.905","0.001","90","","1900.42","0.08","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H14 Br2 Fe O2 -","- C24 H14 Br2 Fe O2 -","- C96 H56 Br8 Fe4 O8 -","4","2","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C24H14Br2FeO2","Crystal Structure Report Archive","2003","","","917","","","","","0.71073","MoKα","","0.0538","0.0445","","","0.0999","0.1057","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519534","9.3064","0.0001","9.8372","0.0002","15.496","0.0004","96.2045","0.0007","102.311","0.0008","115.4","0.0014","1219.63","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H39 B F4 N2 -","- C23 H39 B F4 N2 -","- C46 H78 B2 F8 N4 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C23H39BF4N2","Crystal Structure Report Archive","2003","","","958","","","","","0.71073","MoKα","","0.0724","0.057","","","0.1495","0.1637","","","","","","0.955","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519535","9.506","0.0003","9.9913","0.0005","13.4646","0.0008","71.383","0.002","87.972","0.003","62.935","0.003","1070.01","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 B F4 N2 -","- C19 H31 B F4 N2 -","- C38 H62 B2 F8 N4 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C19H31BF4N2","Crystal Structure Report Archive","2003","","","959","","","","","0.71073","MoKα","","0.1401","0.073","","","0.2087","0.2518","","","","","","1.042","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519536","18.8487","0.0004","17.6656","0.0004","17.0546","0.0004","90","","104.054","0.001","90","","5508.8","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Co2 F12 N20 O16 S4 -","- C30 H54 Co2 F12 N20 O16 S4 -","- C120 H216 Co8 F48 N80 O64 S16 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C30H54Co2F12N20O16S4","Crystal Structure Report Archive","2003","","","983","","","","","0.71073","MoKα","","0.0822","0.0549","","","0.1233","0.1389","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519537","11.1391","0.0006","12.8788","0.0006","14.1662","0.0006","63.891","0.003","68.4","0.003","74.367","0.003","1682.62","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Cl2 N18 Ni O16 -","- C18 H28 Cl2 N18 Ni O16 -","- C36 H56 Cl4 N36 Ni2 O32 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C18H28Cl2N18NiO16","Crystal Structure Report Archive","2003","","","985","","","","","0.71073","MoKα","","0.0702","0.0448","","","0.0986","0.1079","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519538","9.3024","0.0005","9.7983","0.0006","10.0972","0.0006","110.719","0.002","109.62","0.002","102.964","0.002","746.81","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl2 Cu2 N10 O12 -","- C24 H24 Cl2 Cu2 N10 O12 -","- C24 H24 Cl2 Cu2 N10 O12 -","1","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C24H24Cl2Cu2N10O12","Crystal Structure Report Archive","2003","","","986","","","","","0.71073","MoKα","","0.0841","0.0532","","","0.1325","0.147","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519539","14.0392","0.0003","13.8109","0.0003","16.9908","0.0004","90","","90","","90","","3294.41","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C168 H168 N8 O16 -","8","1","","Cunnigham, Ian; Horton, Peter N.; Hursthouse, Michael B.","N-methacryloyl-N-5,6,7,8-tetrahydronaphthalen-1-ylbenzamide","Crystal Structure Report Archive","2003","","","886","","","","","0.71073","MoKα","","0.07","0.0471","","","0.1025","0.1136","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519540","20.561","0.004","18.024","0.003","13.845","0.003","90","","102.444","0.004","90","","5010.3","1.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H48 Cl6 N5 O0.5 P Ru -","- C49 H48 Cl6 N5 O0.5 P Ru -","- C196 H192 Cl24 N20 O2 P4 Ru4 -","4","1","","Danopoulos, Andreas A.; Coles, Simon J.; Hursthouse, Michael B.","C49H48Cl6N5O0.50PRu","Crystal Structure Report Archive","2003","","","887","","","","","0.6888","synchrotron","","0.1048","0.0806","","","0.2084","0.2379","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519541","8.8036","0.0003","14.3869","0.0004","13.4572","0.0004","90","","96.554","0.002","90","","1693.3","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl N O -","- C19 H26 Cl N O -","- C76 H104 Cl4 N4 O4 -","4","1","","Hii, Mimi; Horton, Peter N.; Hursthouse, Michael B.","1-benzyl-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepinium","Crystal Structure Report Archive","2003","","","889","","","","","0.71073","MoKα","","0.0553","0.0389","","","0.0911","0.0992","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519542","10.0317","0.0005","16.1909","0.001","15.0201","0.0009","90","","90","","90","","2439.6","0.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H36 Cl2 Fe P2 Pd -","- C22 H36 Cl2 Fe P2 Pd -","- C88 H144 Cl8 Fe4 P8 Pd4 -","4","0.5","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C22H36Cl2FeP2Pd","Crystal Structure Report Archive","2003","","","915","","","","","0.71073","MoKα","","0.0607","0.0449","","","0.1095","0.1198","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519543","9.2786","0.0002","9.7633","0.0002","19.4797","0.0005","93.186","0.002","94.985","0.001","114.742","0.001","1588.34","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 B F4 N2 -","- C31 H55 B F4 N2 -","- C62 H110 B2 F8 N4 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C31H55BF4N2","Crystal Structure Report Archive","2003","","","953","","","","","0.71073","MoKα","","0.1222","0.055","","","0.1018","0.1212","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519544","9.2775","0.0002","9.7893","0.0002","17.4185","0.0005","94.5935","0.0011","98.3266","0.0012","115.026","0.0012","1400.58","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H47 B F4 N2 -","- C27 H47 B F4 N2 -","- C54 H94 B2 F8 N4 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C27H47BF4N2","Crystal Structure Report Archive","2003","","","956","","","","","0.71073","MoKα","","0.0515","0.0389","","","0.101","0.109","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519545","8.5458","0.0004","9.382","0.0005","38.281","0.002","90","","90","","90","","3069.2","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 F6 N2 P -","- C27 H39 F6 N2 P -","- C108 H156 F24 N8 P4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C27H39F6N2P","Crystal Structure Report Archive","2003","","","961","","","","","0.71073","MoKα","","0.156","0.091","","","0.2445","0.2897","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519546","7.9404","0.0001","19.2434","0.0002","19.4392","0.0002","111.196","0.001","101.568","0.001","92.264","0.001","2692.64","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41 Cl4 Cu4 N11 O24 -","- C42 H41 Cl4 Cu4 N11 O24 -","- C84 H82 Cl8 Cu8 N22 O48 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C42H41Cl4Cu4N11O24","Crystal Structure Report Archive","2003","","","979","","","","","0.71073","MoKα","","0.0707","0.0529","","","0.1223","0.1322","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519547","28.966","0.0004","11.0725","0.0002","26.3419","0.0005","90","","103.633","0.001","90","","8210.5","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H72 Cl4 Mn4 N16 O28 -","- C78 H72 Cl4 Mn4 N16 O28 -","- C312 H288 Cl16 Mn16 N64 O112 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C78H72Cl4Mn4N16O28","Crystal Structure Report Archive","2003","","","982","","","","","0.71073","MoKα","","0.0985","0.0577","","","0.121","0.1382","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519548","12.0821","0.0004","12.956","0.0004","19.5478","0.0008","94.144","0.002","97.469","0.002","107.855","0.002","2867.39","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H57 F12 N21 O18 S4 Zn2 -","- C31 H57 F12 N21 O18 S4 Zn2 -","- C62 H114 F24 N42 O36 S8 Zn4 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C31H57F12N21O18S4Zn2","Crystal Structure Report Archive","2003","","","984","","","","","0.71073","MoKα","","0.1795","0.1287","","","0.3726","0.4077","","","","","","1.504","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519549","10.9384","0.0003","8.297","0.0002","17.3097","0.0005","90","","96.667","0.002","90","","1560.33","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C72 H64 N8 O24 -","4","1","","Davies, David B.; Coles, Simon J.","2-Amino-3-oxo-3H-Phenoxazine-1,9-dicarboxylic acid diethyl ester","Crystal Structure Report Archive","2003","","","137","","","","","0.71073","MoKα","","0.0716","0.0525","","","0.1266","0.1395","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519550","15.2187","0.0013","14.3684","0.001","7.688","0.0006","90","","100.254","0.004","90","","1654.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Croft, Anna K.; Foley, Mark K.; Horton, Peter N.; Hursthouse, Michael B.","3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione","Crystal Structure Report Archive","2003","","","877","","","","","0.71073","MoKα","","0.1231","0.0519","","","0.0974","0.1187","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519551","8.2378","0.0005","9.2872","0.0005","25.4354","0.0013","90","","90","","90","","1945.96","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Cunnigham, Ian; Coles, Simon J.; Hursthouse, Michael B.","C12H12.50N0.50O","Crystal Structure Report Archive","2003","","","885","","","","","0.71073","MoKα","","0.0987","0.0634","","","0.1711","0.1938","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519552","5.9385","0.0008","13.0338","0.0019","10.4518","0.0016","90","","104.583","0.006","90","","782.9","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Wood, Mark E.; Horton, Peter N.; Hursthouse, Michael B.","4-allyl-3-benzoyl-2-tert-butyl-1,3-oxazolidin-5-one","Crystal Structure Report Archive","2003","","","895","","","","","0.71073","MoKα","","0.0907","0.0735","","","0.1785","0.1968","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519553","13.1537","0.0007","9.3992","0.0004","8.0242","0.0003","90","","103.221","0.002","90","","965.77","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O4 S3 -","- C7 H6 O4 S3 -","- C28 H24 O16 S12 -","4","1","","Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.","C7H6O4S3","Crystal Structure Report Archive","2003","","","902","","","","","0.71073","MoKα","","0.0309","0.0283","","","0.0709","0.0728","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519554","8.9162","0.0002","11.0761","0.0002","23.861","0.0005","80.144","0.001","87.57","0.001","77.55","0.002","2267.02","0.08","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H56 Cr2 N12 S32 -","- C70 H56 Cr2 N12 S32 -","- C70 H56 Cr2 N12 S32 -","1","0.5","","Turner, Scott S.; Horton, Peter N.; Hursthouse, Michael B.","C70H56Cr2N12S32","Crystal Structure Report Archive","2003","","","930","","","","","0.71073","MoKα","","0.0934","0.0564","","","0.1306","0.1501","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519555","8.2038","0.0002","9.2704","0.0002","35.2128","0.0008","90","","91.468","0.001","90","","2677.14","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 F6 N2 P -","- C25 H43 F6 N2 P -","- C100 H172 F24 N8 P4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C25H43F6N2P","Crystal Structure Report Archive","2003","","","962","","","","","0.71073","MoKα","","0.1336","0.1067","","","0.2789","0.2945","","","","","","0.977","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519556","5.9385","0.0008","13.0338","0.0019","10.4518","0.0016","90","","104.583","0.006","90","","782.9","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Wood, Mark E.; Horton, Peter N.; Hursthouse, Michael B.","C17H21NO3","Crystal Structure Report Archive","2003","","","980","","","","","0.71073","MoKα","","0.0907","0.0735","","","0.1785","0.1968","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519557","10.8538","0.0005","11.3876","0.0007","12.5537","0.0008","115.212","0.002","112.293","0.003","94.433","0.003","1244.88","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 F18 N10 O22 Pb4 S6 -","- C24 H14 F18 N10 O22 Pb4 S6 -","- C24 H14 F18 N10 O22 Pb4 S6 -","1","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C24H18F18N10O22Pb4S6","Crystal Structure Report Archive","2003","","","981","","","","","0.71073","MoKα","","0.0864","0.0536","","","0.1301","0.143","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519558","8.5353","0.0004","9.3386","0.0003","43.444","0.002","90","","90","","90","","3462.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H55 F6 N2 P -","- C31 H55 F6 N2 P -","- C124 H220 F24 N8 P4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C31H55F6N2P","Crystal Structure Report Archive","2003","","","995","","","","","0.71073","MoKα","","0.1411","0.0756","","","0.1952","0.2279","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519559","6.822","0.0002","8.2332","0.0002","8.7991","0.0003","64.287","0.001","75.322","0.001","77.259","0.002","427.27","0.02","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H14 O3 -","- C8 H14 O3 -","- C8 H14 O3 -","1","0.5","","Dobbs, Adrian; Coles, Simon J.; Hursthouse, Michael B.","(6-methyltetrahydro-2H-pyran-2-yl)acetic acid","Crystal Structure Report Archive","2003","","","1000","","","","","0.71073","MoKα","","0.066","0.057","","","0.1558","0.1622","","","","","","1.247","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519560","9.6325","0.0003","16.6358","0.0006","9.8585","0.0003","90","","103.591","0.002","90","","1535.53","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 F6 N2 P -","- C13 H19 F6 N2 P -","- C52 H76 F24 N8 P4 -","4","1","","Butts, Craig; Light, Mark E.; Hursthouse, Michael B.","C13H19F6N2P","Crystal Structure Report Archive","2003","","","1214","","","","","0.71073","MoKα","","0.0448","0.0377","","","0.0975","0.1013","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519561","8.2431","0.0005","17.0179","0.0011","19.4384","0.0012","74.385","0.002","83.143","0.003","82.03","0.004","2591.2","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H31 N4 Ni O6.5 S2 -","- C21 H22 N4 Ni O6.5 S2 -","- C84 H88 N16 Ni4 O26 S8 -","4","2","","Smith, Paul D.; Light, Mark E.; Hursthouse, Michael B.","C21H31N4NiO6.50S2","Crystal Structure Report Archive","2003","","","1215","","","","","0.71069","MoKα","","0.1022","0.0662","","","0.1761","0.1971","","","","","","0.95","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519562","9.1432","0.0001","9.9264","0.0002","16.5802","0.0003","100.098","0.001","95.733","0.001","110.706","0.001","1364.22","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 I4 N4 S3 -","- C19 H21 I4 N4 S3 -","- C38 H42 I8 N8 S6 -","2","1","","Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.","C19H21I4N4S3","Crystal Structure Report Archive","2003","","","901","","","","","0.71073","MoKα","","0.0422","0.0367","","","0.0925","0.097","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519563","10.5547","0.0002","10.8945","0.0002","10.9395","0.0003","73.673","0.001","78.429","0.001","73.108","0.001","1145.38","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 Fe N O3 -","- C28 H27 Fe N O3 -","- C56 H54 Fe2 N2 O6 -","2","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C28H27FeNO3","Crystal Structure Report Archive","2003","","","914","","","","","0.71073","MoKα","","0.0597","0.0418","","","0.0834","0.0914","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519564","18.497","0.005","18.497","0.005","24.801","0.005","90","0.005","90","0.005","90","0.005","8485","4","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C122 H118 Cl10 Mn9 N58 O60 -","- C122 H102 Cl10 Mn9 N58 O60 -","- C244 H204 Cl20 Mn18 N116 O120 -","2","0.25","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C122H118Cl10Mn9N58O60","Crystal Structure Report Archive","2003","","","970","","","","","0.71073","MoKα","","0.2096","0.1341","","","0.2755","0.312","","","","","","1.115","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519565","12.7864","0.0005","17.1825","0.0007","22.7443","0.0008","99.355","0.002","99.419","0.003","99.681","0.004","4765.7","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 F18 N30 O34 Pb4 S6 -","- C60 H66 F18 N30 O34 Pb4 S6 -","- C120 H132 F36 N60 O68 Pb8 S12 -","2","1","","Matthews, Craig J.; Davis, Lisa; Horton, Peter N.; Hursthouse, Michael B.","C60H66F18N30O34Pb4S6","Crystal Structure Report Archive","2003","","","971","","","","","0.71073","MoKα","","0.0358","0.0321","","","0.0783","0.0802","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519566","17.5385","0.0002","23.9347","0.0003","19.7227","0.0003","90","","93.973","0.001","90","","8259.27","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H52 Cl3 N17 Ni4 O22 -","- C74 H52 Cl3 N17 Ni4 O22 -","- C296 H208 Cl12 N68 Ni16 O88 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C74H52Cl3N17Ni4O22","Crystal Structure Report Archive","2003","","","974","","","","","0.71073","MoKα","","0.1201","0.0762","","","0.1911","0.2125","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519567","26.5518","0.0007","20.3208","0.0003","14.0403","0.0004","90","","101.01","0.001","90","","7436.1","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H58 Cl2 Mn4 N18 O17 -","- C77 H58 Cl2 Mn4 N18 O17 -","- C308 H232 Cl8 Mn16 N72 O68 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C77H58Cl2Mn4N18O17","Crystal Structure Report Archive","2003","","","975","","","","","0.71073","MoKα","","0.1484","0.0605","","","0.1239","0.1566","","","","","","0.965","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519568","6.9577","0.0003","17.101","0.0007","17.8604","0.0008","90","","97.345","0.002","90","","2107.66","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu4 N12 O20 -","- C36 H28 Cu4 N12 O20 -","- C72 H56 Cu8 N24 O40 -","2","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C36H36Cu4N12O20","Crystal Structure Report Archive","2003","","","976","","","","","0.71073","MoKα","","0.1022","0.0631","","","0.126","0.1412","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519569","5.4663","0.0002","17.828","0.0012","8.1473","0.0005","90","","90.423","0.003","90","","793.96","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C30 H40 O10 S2 -","2","1","","ii, Mimi; Light, Mark E.; Hursthouse, Michael B.","C15H20O5S","Crystal Structure Report Archive","2003","","","1210","","","","","0.71073","MoKα","","0.0538","0.0418","","","0.1167","0.1301","","","","","","0.761","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519570","17.13","0.04","10.965","0.008","17.45","0.015","90","","114.25","0.07","90","","2988","8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br3 N3 -","- C14 H12 Br3 N3 -","- C112 H96 Br24 N24 -","8","2","","Hursthouse, Michael B.; Gale, Phil A.; Light, Mark E.; Warriner, C. N.","1,1-bis(2-Pyrrolyl)-1-(3,4,5-tribromo-2-pyrrolyl)ethane","Crystal Structure Report Archive","2003","","","45","","","","","0.71073","MoKα","","0.0915","0.048","","","0.0952","0.1081","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519571","9.8236","0.0002","27.4206","0.0009","10.3335","0.0003","90","","111.113","0.002","90","","2596.67","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 I3 N4 S3 -","- C19 H21 I3 N4 S3 -","- C76 H84 I12 N16 S12 -","4","1","","Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.","C9.50H10.50I1.50N2S1.50","Crystal Structure Report Archive","2003","","","899","","","","","0.71073","MoKα","","0.0374","0.027","","","0.0594","0.0633","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519572","21.0514","0.0003","7.0276","0.0001","24.2942","0.0003","90","","90","","90","","3594.1","0.08","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H10 F4 I2 N2 O2 S -","- C13 H10 F4 I2 N2 O2 S -","- C104 H80 F32 I16 N16 O16 S8 -","8","1","","Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.","C13H10F4I2N2O2S","Crystal Structure Report Archive","2003","","","900","","","","","0.71073","MoKα","","0.0369","0.0322","","","0.0761","0.0785","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519573","8.6203","0.0011","10.5084","0.0013","11.3286","0.0015","80.528","0.005","73.494","0.005","71.177","0.005","928.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Fe N O2 -","- C22 H23 Fe N O2 -","- C44 H46 Fe2 N2 O4 -","2","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C22H23FeNO2","Crystal Structure Report Archive","2003","","","913","","","","","0.71073","MoKα","","0.1878","0.0952","","","0.1855","0.227","","","","","","0.985","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519574","8.769","0.0001","18.3239","0.0006","10.4942","0.0003","90","","107.374","0.002","90","","1609.3","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 Br N2 O -","- C15 H25 Br N2 O -","- C60 H100 Br4 N8 O4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C15H25BrN2O","Crystal Structure Report Archive","2003","","","947","","","","","0.71073","MoKα","","0.05","0.0334","","","0.0797","0.0867","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519575","8.8931","0.0003","9.0266","0.0002","13.6881","0.0006","72.225","0.002","77.2341","0.0018","77.122","0.002","1006.1","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 Br N2 O -","- C19 H33 Br N2 O -","- C38 H66 Br2 N4 O2 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C19H33BrN2O","Crystal Structure Report Archive","2003","","","948","","","","","0.71073","MoKα","","0.0563","0.0397","","","0.0879","0.095","","","","","","0.975","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519576","8.8185","0.0002","9.1331","0.0002","19.1308","0.0004","84.397","0.001","79.078","0.001","77.729","0.001","1475.68","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H53 Br N2 O -","- C29 H53 Br N2 O -","- C58 H106 Br2 N4 O2 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C29H53BrN2O","Crystal Structure Report Archive","2003","","","949","","","","","0.71073","MoKα","","0.0558","0.0465","","","0.1083","0.1137","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519577","8.6737","0.0002","22.2346","0.0004","9.8649","0.0002","90","","104.924","0.001","90","","1838.33","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 Br N2 O -","- C17 H29 Br N2 O -","- C68 H116 Br4 N8 O4 -","4","2","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C17H29BrN2O","Crystal Structure Report Archive","2003","","","950","","","","","0.71073","MoKα","","0.048","0.0403","","","0.0854","0.0895","","","","","","1.037","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519578","9.089","0.0002","9.1411","0.0003","15.9877","0.0005","77.573","0.001","76.514","0.001","77.964","0.002","1243.77","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H41 Br N2 O -","- C23 H41 Br N2 O -","- C46 H82 Br2 N4 O2 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C23H41BrN2O","Crystal Structure Report Archive","2003","","","951","","","","","0.71073","MoKα","","0.0819","0.0467","","","0.0912","0.1042","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519579","17.5547","0.001","8.8674","0.0006","17.7449","0.0012","90","","110.858","0.002","90","","2581.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Br N2 O0.5 -","- C25 H44 Br N2 O0.5 -","- C100 H176 Br4 N8 O2 -","4","1","","Butts, Craig; Horton, Peter N.; Hursthouse, Michael B.","C25H44BrN2O0.50","Crystal Structure Report Archive","2003","","","960","","","","","0.71073","MoKα","","0.1165","0.0825","","","0.1548","0.168","","","","","","1.152","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519580","8.8931","0.0003","9.0266","0.0002","13.6881","0.0006","72.225","0.002","77.234","0.002","77.122","0.002","1006.1","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 Br N2 O -","- C19 H33 Br N2 O -","- C38 H66 Br2 N4 O2 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C19H33BrN2O","Crystal Structure Report Archive","2003","","","963","","","","","0.71073","MoKα","","0.0563","0.0397","","","0.087","0.0935","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519581","10.138","0.002","11.861","0.002","17.072","0.003","105.284","0.001","93.568","0.001","110.99","0.0008","1820.7","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 Cr N15 O5.5 -","- C36 H35 Cr N15 O5.5 -","- C72 H70 Cr2 N30 O11 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C36H35CrN15O5.50","Crystal Structure Report Archive","2003","","","969","","","","","0.71073","MoKα","","0.0902","0.0595","","","0.1322","0.1443","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519582","11.0194","0.0006","13.23","0.002","16.983","0.004","110.038","0.011","93.94","0.01","109.791","0.012","2140.3","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cl2 Mn N16 O10 -","- C38 H38 Cl2 Mn N16 O10 -","- C76 H76 Cl4 Mn2 N32 O20 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C38H38Cl2MnN16O10","Crystal Structure Report Archive","2004","","","1065","","","","","0.71073","MoKα","","0.0906","0.0661","","","0.1723","0.1886","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519583","20.502","0.004","11.575","0.002","15.431","0.003","90","","107.67","0.02","90","","3489.2","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl3 N12 O16 Zn2 -","- C24 H28 Cl3 N12 O16 Zn2 -","- C96 H112 Cl12 N48 O64 Zn8 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C24H28Cl3N12O16Zn2","Crystal Structure Report Archive","2004","","","1066","","","","","0.71073","MoKα","","0.113","0.0821","","","0.1963","0.2127","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519584","9.1978","0.0008","12.711","0.004","18.081","0.005","88.34","0.02","80.737","0.012","86.262","0.014","2081.5","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H35 Cl3 Mn2 N13 O21.5 -","- C26 H35 Cl3 Mn2 N13 O21.5 -","- C52 H70 Cl6 Mn4 N26 O43 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C26H35Cl3Mn2N13O21.50","Crystal Structure Report Archive","2004","","","1067","","","","","0.71073","MoKα","","0.1575","0.0943","","","0.2176","0.2472","","","","","","1.047","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519585","25.134","0.006","25.332","0.009","20.455","0.009","90","","111.54","0.014","90","","12114","8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H97 Cl8 Mn4 N45 O53 -","- C81 H95 Cl8 Mn4 N45 O53 -","- C324 H380 Cl32 Mn16 N180 O212 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C81H97Cl8Mn4N45O53","Crystal Structure Report Archive","2004","","","1068","","","","","0.71073","MoKα","","0.1052","0.0733","","","0.1448","0.1579","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519586","8.5627","0.0002","10.4508","0.0006","35.5429","0.0017","90","","94.294","0.003","90","","3171.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O6 Pd S3 -","- C33 H33 N3 O6 Pd S3 -","- C132 H132 N12 O24 Pd4 S12 -","4","1","","Hursthouse, Michael B.; Coles, Simon J.","1,6,11-tris[(4-methylphenyl)sulfonyl]-1,6,11-triazaciclopentadeca-3,8,13- triynepalladium","Crystal Structure Report Archive","2004","","","144","","","","","0.71073","MoKα","","0.0461","0.0388","","","0.0982","0.1104","","","","","","1.811","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519587","13.648","0.003","17.348","0.003","33.734","0.008","90","","90","","90","","7987","3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H23 Cl2 N4 O6 P3 -","- C11 H23 Cl2 N4 O6 P3 -","- C176 H368 Cl32 N64 O96 P48 -","16","4","","Hursthouse, Michael B.; Coles, Simon J.","2,2-(3'-amino-1'-propanoxy)-4,6-oxy(tetraethyleneoxy)-4,6- dichlorocyclotriphosphazatriene","Crystal Structure Report Archive","2004","","","147","","","","","0.71073","MoKα","","0.1038","0.0613","","","0.119","0.1362","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519588","8.713","0.004","6.582","0.004","15.739","0.007","90","","101.7","0.05","90","","883.9","0.8","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Marson, Charles M.; Coles, Simon J.; Hursthouse, Michael B.","3-benzyl-6-ethyl-7-(hydroxymethyl)-1,8-dioxa-4-azacycloundecane-5,9,11-trione","Crystal Structure Report Archive","2004","","","892","","","","","0.71073","MoKα","","0.0811","0.057","","","0.0983","0.1043","","","","","","1.38","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519589","16.883","0.002","20.316","0.003","17.594","0.003","90","","113.302","0.01","90","","5542.4","1.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H93 Fe O9.5 P2 S2 -","- C57 H93 Fe O9.5 P2 S2 -","- C228 H372 Fe4 O38 P8 S8 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C57H93FeO9.50P2S2","Crystal Structure Report Archive","2004","","","921","","","","","0.71073","MoKα","","0.0681","0.053","","","0.1302","0.1391","","","","","","1.02","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519590","6.7406","0.0014","11.794","0.0019","11.945","0.003","87.687","0.017","86.67","0.02","81.403","0.018","936.9","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br N O2 Si -","- C20 H20 Br N O2 Si -","- C40 H40 Br2 N2 O4 Si2 -","2","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C20H20BrNO2Si","Crystal Structure Report Archive","2004","","","923","","","","","0.71073","MoKα","","0.0584","0.0402","","","0.0718","0.0774","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519591","10.8714","0.0017","10.915","0.0008","13.574","0.003","90","","111.897","0.015","90","","1494.5","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C18H22O2","Crystal Structure Report Archive","2004","","","924","","","","","0.71073","MoKα","","0.0486","0.0417","","","0.0976","0.1017","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519592","7.9737","0.0008","24.1031","0.0019","7.8367","0.0007","90","","118.41","0.005","90","","1324.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 S3 -","- C10 H10 Br2 S3 -","- C40 H40 Br8 S12 -","4","1","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C10H10Br2S3","Crystal Structure Report Archive","2004","","","1006","","","","","0.71073","MoKα","","0.1188","0.0806","","","0.1903","0.2108","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519593","30.586","0.01","9.66","0.002","18.449","0.005","90","","94.599","0.01","90","","5433","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 N18 P6 -","- C42 H54 N18 P6 -","- C168 H216 N72 P24 -","4","1","","Yenilmez-Ciftci, Gonul; Shaw, Robert A.; Mayer, Thomas A.; Kilic, A.; Hursthouse, Michael B.; Davies, David B.; Coles, Simon J.","1,3,5,7,11-Pentaaza-2,4,6-triphospha spiro[5.5] undeca-1,3,5-triene- (1,4-butanediyl)bis[2,2,4,4-tetrapyrrollidine]","Crystal Structure Report Archive","2004","","","105","","","","","0.71073","MoKα","","0.275","0.1405","","","0.2593","0.3149","","","","","","1.192","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519594","16.4963","0.0018","8.325","0.003","20.061","0.006","90","","90","","90","","2755","1.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C112 H160 O40 -","8","1","","Rousay, Esther; Frey, Jeremy G.; Coles, Simon J.; Hursthouse, Michael B.","6,7,9,10,12,13,15,16-Octahydro-benzo-1,4,7,10,13-pentaoxacyclopentadecin","Crystal Structure Report Archive","2004","","","145","","","","","0.71073","MoKα","","0.0977","0.0487","","","0.1008","0.1192","","","","","","0.974","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519595","10.023","0.0004","10.8755","0.0005","15.397","0.0007","79.211","0.002","77.133","0.002","69.254","0.002","1519.28","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Cl8 N10 O0 P6 -","- C10 H22 Cl8 N10 P6 -","- C20 H44 Cl16 N20 P12 -","2","1","","Hursthouse, Michael B.; Coles, Simon J.","syn-(mu2-Tetramethylene)-bis(2-(1,3-propylenediamine-N,N')-4,4,6,6-tetrachloro- cyclotriphosphazene","Crystal Structure Report Archive","2004","","","57","","","","","0.71073","MoKα","","0.1087","0.0742","","","0.196","0.2184","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519596","8.5936","0.0018","7.2355","0.0014","15.311","0.007","90","","103.98","0.03","90","","923.8","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C40 H48 N4 O10 -","2","1","","Croft, Anna K.; Foley, Mark K.; Horton, Peter N.; Hursthouse, Michael B.","C20H24N2O5","Crystal Structure Report Archive","2004","","","876","","","","","0.71073","MoKα","","0.0573","0.0468","","","0.1083","0.1134","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519597","8.5152","0.0009","9.6458","0.0003","21.897","0.005","86.955","0.006","85.97","0.02","84.691","0.006","1784.4","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H54 B2 Sn -","- C40 H54 B2 Sn -","- C80 H108 B4 Sn2 -","2","1","","Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.","C40H54B2Sn","Crystal Structure Report Archive","2004","","","893","","","","","0.71073","MoKα","","0.1354","0.128","","","0.3258","0.3308","","","","","","1.224","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519598","8.297","0.0012","7.898","0.003","24.122","0.004","90","","92.36","0.02","90","","1579.4","0.7","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 B -","- C19 H25 B -","- C76 H100 B4 -","4","1","","Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.","C38H50B2","Crystal Structure Report Archive","2004","","","894","","","","","0.71073","MoKα","","0.2552","0.1406","","","0.1531","0.1918","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519599","11.5254","0.0009","14.3958","0.0011","20.4783","0.0012","90","","95.396","0.006","90","","3382.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 Cl5 Fe P2 Pd -","- C29 H49 Cl5 Fe P2 Pd -","- C116 H196 Cl20 Fe4 P8 Pd4 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C29H49Cl5FeP2Pd","Crystal Structure Report Archive","2004","","","919","","","","","0.71073","MoKα","","0.0651","0.0366","","","0.0681","0.0765","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519600","24.578","0.005","9.333","0.0019","15.288","0.003","90","","123.25","0.03","90","","2932.7","1.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Fe P2 -","- C30 H52 Fe P2 -","- C120 H208 Fe4 P8 -","4","0.5","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C30H52FeP2","Crystal Structure Report Archive","2004","","","920","","","","","0.71073","MoKα","","0.0524","0.0341","","","0.0701","0.077","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519601","23.507","0.005","18.121","0.004","21.007","0.004","90","","118.687","0.003","90","","7850","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H62 Cl6 N26 O30 Zn3 -","- C58 H50 Cl6 N26 O30 Zn3 -","- C232 H200 Cl24 N104 O120 Zn12 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C58H62Cl6N26O30Zn3","Crystal Structure Report Archive","2004","","","1063","","","","","0.71073","MoKα","","0.1705","0.1245","","","0.2745","0.2976","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519602","11.3216","0.0003","13.2873","0.0006","13.932","0.0009","110.438","0.004","98.073","0.004","115.161","0.004","1671.26","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H17 Cl3 F4 N4 S6 -","- C31 H17 Cl3 F4 N4 S6 -","- C62 H34 Cl6 F8 N8 S12 -","2","1","","Hursthouse, Michael B.; Huth, Susanne. L.","1,3,8,10-Tetrakis-(4-fluoro-phenyl)-1,3,8,10-tetrahydro-4,5,6,7-tetrathia- 1,3,8,10-tetraaza-dicyclopenta[a,c]cyclooctene-2,9-dithione","Crystal Structure Report Archive","2004","","","30","","","","","0.71073","MoKα","","0.0493","0.0382","","","0.0927","0.1038","","","","","","0.669","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519603","19.4376","0.0015","11.1178","0.0011","30.276","0.003","90","","91.579","0.008","90","","6540.3","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H53 Cl3 Fe P2 Pd -","- C30.5 H53 Cl3 Fe P2 Pd -","- C244 H424 Cl24 Fe8 P16 Pd8 -","8","2","","Butler, Ian. R.; Horton, Peter N.; Hursthouse, Michael B.","C30.5H53Cl3FeP2Pd","Crystal Structure Report Archive","2004","","","565","","","","","0.71073","MoKα","","0.0401","0.0293","","","0.065","0.0689","","","","","","1.038","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519604","23.024","0.002","12.4019","0.0006","15.574","0.001","90","","109.102","0.007","90","","4202.2","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 Cl2 Fe O6 P2 Pd -","- C38 H76 Cl2 Fe O6 P2 Pd -","- C152 H304 Cl8 Fe4 O24 P8 Pd4 -","4","1","","Butler, Ian. R.; Horton, Peter N.; Hursthouse, Michael B.","C38H76Cl2FeO6P2Pd","Crystal Structure Report Archive","2004","","","657","","","","","0.71073","MoKα","","0.0389","0.032","","","0.0765","0.0799","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519605","12.342","0.003","14.132","0.003","12.611","0.003","90","","90.835","0.018","90","","2199.3","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 Cl3 N4 O5 P3 -","- C11 H24 Cl3 N4 O5 P3 -","- C44 H96 Cl12 N16 O20 P12 -","4","1","","Shaw, Robert. A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C11H24Cl3N4O5P3","Crystal Structure Report Archive","2004","","","875","","","","","0.71073","MoKα","","0.0822","0.0591","","","0.1452","0.1592","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519606","10.0484","0.0007","12.2174","0.001","14.7534","0.0019","90","","100.896","0.009","90","","1778.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 Fe P4 -","- C34 H62 Fe P4 -","- C68 H124 Fe2 P8 -","2","0.5","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C34H62FeP4","Crystal Structure Report Archive","2004","","","918","","","","","0.71073","MoKα","","0.0323","0.0263","","","0.0624","0.0651","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519607","6.179","0.003","17.15","0.007","20.284","0.007","75.3973","0.0018","89.419","0.002","84.076","0.002","2068.7","1.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15.33333 H16.33333 Cl O2 -","- C15.3333 H16.3333 Cl O2 -","- C92 H98 Cl6 O12 -","6","3","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C46H49Cl3O6","Crystal Structure Report Archive","2004","","","925","","","","","0.71073","MoKα","","0.1275","0.0671","","","0.1477","0.1751","","","","","","1.019","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1519608","25.809","0.005","11.899","0.005","17.357","0.005","90","","90","","90","","5330","3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H46 Cl4 N16 Ni2 O21 -","- C44 H36 Cl4 N16 Ni2 O21 -","- C176 H144 Cl16 N64 Ni8 O84 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H46Cl4N16Ni2O21","Crystal Structure Report Archive","2004","","","989","","","","","0.71073","MoKα","","0.1288","0.081","","","0.172","0.1905","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519609","14.668","0.005","19.628","0.005","25.461","0.005","90","0.005","93.882","0.005","90","0.005","7313","3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Cl6 Fe4 N24 O35.5 -","- C48 H40 Cl6 Fe4 N24 O35.5 -","- C192 H160 Cl24 Fe16 N96 O142 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.; Davis, Lisa","C48H59Cl6Fe4N24O35.50","Crystal Structure Report Archive","2004","","","993","","","","","0.71073","MoKα","","0.1105","0.0724","","","0.1642","0.1817","","","","","","1.072","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519610","11.9934","0.0019","13.9655","0.0013","17.1114","0.0008","93.943","0.007","105.572","0.009","90.99","0.012","2752.4","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H52 Cl2 Mn N24 O11 -","- C49 H52 Cl2 Mn N24 O11 -","- C98 H104 Cl4 Mn2 N48 O22 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C49H52Cl2MnN24O11","Crystal Structure Report Archive","2004","","","994","","","","","0.71073","MoKα","","0.0515","0.0411","","","0.1069","0.1128","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519729","8.0116","0.0001","8.3409","0.0001","12.2865","0.0002","90","","90","","90","","821.03","0.02","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 S3 -","- C7 H8 S3 -","- C28 H32 S12 -","4","1","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C7H8S3","Crystal Structure Report Archive","2004","","","1003","","","","","0.71073","MoKα","","0.0202","0.0197","","","0.0495","0.05","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519730","24.1967","0.0016","10.5977","0.0007","7.5551","0.0004","90","","95.146","0.003","90","","1929.5","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O4 S5 -","- C17 H12 N2 O4 S5 -","- C68 H48 N8 O16 S20 -","4","0.5","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C17H12N2O4S5","Crystal Structure Report Archive","2004","","","1004","","","","","0.71073","MoKα","","0.0629","0.0415","","","0.093","0.1015","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519731","20.4346","0.0003","31.7982","0.0005","17.2829","0.0002","90","","90","","90","","11230.1","0.3","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C97 H38 O5 -","- C97 H38 O5 -","- C776 H304 O40 -","8","1","","Smith, Paul D.; Coles, Simon J.; Hursthouse, Michael B.","C24H29N5NiO3S2","Crystal Structure Report Archive","2004","","","906","","","","","0.71073","MoKα","","0.1261","0.068","","","0.1631","0.1929","","","","","","1.023","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519732","8.6774","0.0003","9.0176","0.0003","10.074","0.0003","107.625","0.002","96.197","0.002","102.871","0.002","719.24","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 B F4 N2 -","- C13 H19 B F4 N2 -","- C26 H38 B2 F8 N4 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C13H19BF4N2","Crystal Structure Report Archive","2004","","","966","","","","","0.71073","MoKα","","0.0575","0.0517","","","0.1286","0.1338","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519733","9.2017","0.0001","16.0731","0.0003","18.2782","0.0004","90","","90","","90","","2703.34","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H15 F6 N2 P -","- C11 H15 F6 N2 P -","- C88 H120 F48 N16 P8 -","8","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C11H15F6N2P","Crystal Structure Report Archive","2004","","","967","","","","","0.71073","MoKα","","0.0505","0.0431","","","0.1204","0.1265","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519734","14.146","0.005","15.602","0.005","20.484","0.005","81.484","0.005","71.672","0.005","71.901","0.005","4073","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 Cl6 Cr2 N24 O30 Zn2 -","- C68 H48 Cl6 Cr2 N24 O30 Zn2 -","- C136 H96 Cl12 Cr4 N48 O60 Zn4 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C68H52Cl6Cr2N24O30Zn2","Crystal Structure Report Archive","2004","","","978","","","","","0.71073","MoKα","","0.189","0.1425","","","0.4083","0.4307","","","","","","1.606","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519735","12.463","0.005","10.797","0.001","22.201","0.005","90","","91.765","0.002","90","","2986","1.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Fe N4 O10 -","- C11 H11 Fe N4 O10 -","- C88 H88 Fe8 N32 O80 -","8","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C11H11FeN4O10","Crystal Structure Report Archive","2004","","","988","","","","","0.71073","MoKα","","0.0815","0.0516","","","0.124","0.1389","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519736","17.648","0.003","12.6089","0.0018","22.985","0.004","90","","90","","90","","5114.7","1.4","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H36 Cl4 N16 O16 Zn2 -","- C44 H36 Cl4 N16 O16 Zn2 -","- C176 H144 Cl16 N64 O64 Zn8 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H36Cl4N16O16Zn2","Crystal Structure Report Archive","2004","","","990","","","","","0.71073","MoKα","","0.0552","0.0418","","","0.095","0.1018","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519737","17.335","0.003","12.828","0.002","23.107","0.004","90","","90","","90","","5138.4","1.5","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H36 Cl4 Mn2 N16 O16 -","- C44 H36 Cl4 Mn2 N16 O16 -","- C176 H144 Cl16 Mn8 N64 O64 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H36Cl4Mn2N16O16","Crystal Structure Report Archive","2004","","","991","","","","","0.71073","MoKα","","0.0745","0.0548","","","0.1298","0.1422","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519738","25.808","0.005","11.9889","0.0008","17.384","0.003","90","","90","","90","","5378.8","1.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H46 Cl4 Co2 N16 O21 -","- C44 H36 Cl4 Co2 N16 O21 -","- C176 H144 Cl16 Co8 N64 O84 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H46Cl4Co2N16O21","Crystal Structure Report Archive","2004","","","992","","","","","0.71073","MoKα","","0.0827","0.0568","","","0.1381","0.1512","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519739","10.6034","0.0002","10.6034","0.0001","6.3943","0.0002","90","","90","","90","","718.92","0.03","120","2","120","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C10 H22 Se Sn2 -","- C10 H22 Se Sn2 -","- C20 H44 Se2 Sn4 -","2","0.25","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C10H22SeSn2","Crystal Structure Report Archive","2004","","","1005","","","","","0.71073","MoKα","","0.0378","0.0378","","","0.0928","0.0928","","","","","","1.221","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519740","17.448","0.003","8.498","0.002","15.511","0.003","90","","112.81","0.03","90","","2120","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Bingham, Ann L.; Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form III)","Crystal Structure Report Archive","2004","","","397","","","","","0.71073","MoKα","","0.1024","0.0485","","","0.0946","0.1072","","","","","","0.93","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519741","8.193","0.002","8.538","0.002","15.437","0.003","90","","94.01","0.03","90","","1077.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Bingham, Ann L.; Hughes, David S.; Threlfall, Terence L.; Hursthouse, Michael B.","4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form IV)","Crystal Structure Report Archive","2004","","","398","","","","","0.71073","MoKα","","0.0335","0.031","","","0.0812","0.0827","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519742","10.774","0.001","8.467","0.001","11.367","0.001","90","","91.65","0.01","90","","1036.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Bingham, Ann E.; Hughes, David S.; Threlfall, Terence L.; Hursthouse, Michael B.","4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form V)","Crystal Structure Report Archive","2004","","","399","","","","","0.71073","MoKα","","0.0555","0.0382","","","0.091","0.0959","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519743","10.534","0.002","12.936","0.003","17.191","0.003","90","","107.77","0.03","90","","2230.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Bingham, Ann E.; Hughes, David S.; Threlfall, Terence L.; Hursthouse, Michael B.","4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form I)","Crystal Structure Report Archive","2004","","","401","","","","","0.71073","MoKα","","0.0646","0.04","","","0.0917","0.1016","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519744","11.6146","0.0002","13.342","0.0004","16.3699","0.0004","90","","90","","90","","2536.71","0.11","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N5 Ni O3 S2 -","- C24 H29 N5 Ni O3 S2 -","- C96 H116 N20 Ni4 O12 S8 -","4","1","","Smith, Paul D.; Coles, Simon J.; Hursthouse, Michael B.","C24H29N5NiO3S2","Crystal Structure Report Archive","2004","","","905","","","","","0.71073","MoKα","","0.0367","0.0334","","","0.0757","0.0781","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519745","10.5701","0.0003","11.0531","0.0003","11.7699","0.0003","88.065","0.002","89.074","0.002","88.757","0.002","1373.83","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 B F4 N2 -","- C12 H17 B F4 N2 -","- C48 H68 B4 F16 N8 -","4","2","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C12H17BF4N2","Crystal Structure Report Archive","2004","","","964","","","","","0.71073","MoKα","","0.0797","0.0549","","","0.1341","0.1465","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519746","10.8197","0.0005","11.9252","0.0007","11.2662","0.0006","90","","92.577","0.004","90","","1452.17","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 F6 N2 P -","- C12 H17 F6 N2 P -","- C48 H68 F24 N8 P4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C12H17F6N2P","Crystal Structure Report Archive","2004","","","965","","","","","0.71073","MoKα","","0.0408","0.0386","","","0.1029","0.1051","","","","","","1.28","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519747","16.414","0.002","17.763","0.005","39.364","0.009","89.111","0.018","78.093","0.014","78.667","0.014","11007","4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C157 H115 F15 Gd4 N72 O39 S6 -","- C157 H115 F15 Gd4 N72 O39 S6 -","- C314 H230 F30 Gd8 N144 O78 S12 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C157H115F15Gd4N72O39S6","Crystal Structure Report Archive","2005","","","1062","","","","","0.71073","MoKα","","0.2095","0.1232","","","0.3229","0.3694","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519748","22.06","0.003","22.06","0.003","19.537","0.003","90","","90","","90","","9508","2","120","2","120","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C58 H50 Cl4 Mn3 N26 O16 -","- C58 H50 Cl4 Mn3 N26 O16 -","- C232 H200 Cl16 Mn12 N104 O64 -","4","0.25","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C58 H50 Cl4 Mn3 N26 O16","Crystal Structure Report Archive","2005","","","1064","","","","","0.71073","MoKα","","0.1472","0.0871","","","0.2465","0.2819","","","","","","1.051","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519749","27.706","0.005","12.9009","0.0015","41.68","0.004","90","","99.305","0.013","90","","14702","4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H78 Cl10 Mn5 N46 O40 -","- C86 H78 Cl10 Mn5 N46 O40 -","- C344 H312 Cl40 Mn20 N184 O160 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C86H78Mn5N46, 10(ClO4)","Crystal Structure Report Archive","2005","","","1069","","","","","0.71073","MoKα","","0.2093","0.135","","","0.3572","0.3912","","","","","","1.204","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519750","7.747","0.009","15.519","0.018","25.745","0.008","90","","90","","90","","3095","5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N2 Ru -","- C16 H24 N2 Ru -","- C128 H192 N16 Ru8 -","8","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C16H24N2Ru","Crystal Structure Report Archive","2005","","","1103","","","","","0.71073","MoKα","","0.2192","0.1089","","","0.1905","0.2333","","","","","","1.114","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519751","35.086","0.007","14.184","0.003","26.639","0.005","90","","119.17","0.03","90","","11576","5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H216 Cl7 P8 Ru3 -","- C96 H216 Cl7 P8 Ru3 -","- C384 H864 Cl28 P32 Ru12 -","4","0.5","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C96 H216 Cl7 P8 Ru3","Crystal Structure Report Archive","2005","","","1104","","","","","0.71073","MoKα","","0.0877","0.0494","","","0.1187","0.1385","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519752","14.7387","0.0012","10.7713","0.0009","23.365","0.002","90","","90","","90","","3709.3","0.5","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H12 Br F6 Fe N -","- C21 H12 Br F6 Fe N -","- C168 H96 Br8 F48 Fe8 N8 -","8","2","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C21H12BrF6FeN","Crystal Structure Report Archive","2005","","","1105","","","","","0.71073","MoKα","","0.0745","0.0523","","","0.1296","0.1409","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519753","10.6819","0.0002","28.4913","0.0006","15.1257","0.0003","90","","106.986","0.001","90","","4402.56","0.15","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H39 Cl5 Fe Ni P3 -","- C47 H38 Cl5 Fe Ni P3 -","- C188 H152 Cl20 Fe4 Ni4 P12 -","4","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C46H38Cl2FeNiP3, CHCl3","Crystal Structure Report Archive","2005","","","1106","","","","","0.71073","MoKα","","0.0707","0.0505","","","0.1077","0.1153","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519754","12.608","0.005","12.1123","0.0012","19.7719","0.0018","90","","95.771","0.012","90","","3004.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Fe N O -","- C19 H15 Fe N O -","- C152 H120 Fe8 N8 O8 -","8","2","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C19H15FeNO","Crystal Structure Report Archive","2005","","","1202","","","","","0.71069","MoKα","","0.1104","0.0477","","","0.0852","0.0923","","","","","","0.694","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519765","9.2767","0.0011","10.467","0.002","15.0969","0.0013","79.283","0.013","84.701","0.008","65.476","0.016","1310.2","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 N8 Ni O4 P2 S4 -","- C56 H48 N8 Ni O4 P2 S4 -","- C56 H48 N8 Ni O4 P2 S4 -","1","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C56H48N8Ni1O4P2S4","Crystal Structure Report Archive","2006","","","243","","","","","0.71073","MoKα","","0.0573","0.0416","","","0.0918","0.0991","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519766","11.9856","0.0009","17.7146","0.0011","15.2383","0.0005","90","","101.808","0.004","90","","3166.9","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cd N2 O4 P2 S4 -","- C28 H30 Cd N2 O4 P2 S4 -","- C112 H120 Cd4 N8 O16 P8 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C28H30Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","245","","","","","0.71073","MoKα","","0.0399","0.0273","","","0.0586","0.0637","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519767","12.1056","0.0006","17.5149","0.0011","15.3373","0.0012","90","","99.041","0.006","90","","3211.5","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Cd N2 O4 P2 S4 -","- C28 H32 Cd N2 O4 P2 S4 -","- C112 H128 Cd4 N8 O16 P8 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C28H32Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","246","","","","","0.71073","MoKα","","0.0375","0.0281","","","0.0607","0.0647","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519768","10.3791","0.0006","17.5735","0.0008","8.103","0.0003","90","","100.512","0.003","90","","1453.16","0.12","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cd N2 O4 P2 S4 -","- C26 H28 Cd N2 O4 P2 S4 -","- C52 H56 Cd2 N4 O8 P4 S8 -","2","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C26H28Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","247","","","","","0.71073","MoKα","","0.0291","0.0236","","","0.0543","0.0572","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519769","10.7073","0.0004","16.3214","0.0004","19.5513","0.0006","90","","91.799","0.002","90","","3415.06","0.19","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cd N2 O4 P2 S4 -","- C29 H34 Cd N2 O4 P2 S4 -","- C116 H136 Cd4 N8 O16 P8 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C29H34Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","248","","","","","0.71073","MoKα","","0.0461","0.0311","","","0.0663","0.0727","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519770","15.2643","0.0004","14.7356","0.0003","10.5323","0.0002","90","","94.988","0.001","90","","2360.04","0.09","150","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Hg2 O8 P4 S8 -","- C36 H48 Hg2 O8 P4 S8 -","- C72 H96 Hg4 O16 P8 S16 -","2","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C36H48Hg2O8P4S8","Crystal Structure Report Archive","2006","","","249","","","","","0.71073","MoKα","","0.0253","0.0211","","","0.0458","0.0472","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519771","15.2671","0.0003","14.7379","0.0002","10.5379","0.0003","90","","95.004","0.001","90","","2362.04","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Hg2 O8 P4 S8 -","- C36 H48 Hg2 O8 P4 S8 -","- C72 H96 Hg4 O16 P8 S16 -","2","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C36H48Hg2O8P4S8","Crystal Structure Report Archive","2006","","","250","","","","","0.71073","MoKα","","0.0231","0.0207","","","0.0437","0.0446","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519772","8.156","0.002","14.103","0.004","16.38","0.006","90.94","0.02","99.31","0.02","100.91","0.02","1823.5","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br8 I5 N6 -","- C18 H15 Br8 I5 N6 -","- C36 H30 Br16 I10 N12 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C18H15Br8I5N6","Crystal Structure Report Archive","2006","","","254","","","","","0.71073","MoKα","","0.1154","0.0517","","","0.1027","0.1239","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519773","10.9213","0.0008","11.8985","0.0007","14.892","0.0011","90","","90","","90","","1935.2","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br2 I N6 -","- C18 H12.99 Br2 I N6 -","- C72 H51.96 Br8 I4 N24 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C18H13Br2I1N6","Crystal Structure Report Archive","2006","","","255","","","","","0.71073","MoKα","","0.0498","0.0441","","","0.1264","0.1303","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519774","19.6222","0.0011","7.8609","0.0003","21.3982","0.0011","90","","90","","90","","3300.6","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H40 B4 Fe2 O8 -","- C36 H40 B4 Fe2 O8 -","- C144 H160 B16 Fe8 O32 -","4","0.5","","Aldridge, Simon; Male, Louise; Hursthouse, Michael B.","C36H40B4Fe2O8","Crystal Structure Report Archive","2006","","","329","","","","","0.71073","MoKα","","0.1451","0.0905","","","0.1459","0.1676","","","","","","1.219","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519775","42.3472","0.001","9.8258","0.0003","17.1627","0.0003","90","","99.789","0.001","90","","7037.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl2 P2 Pd2 S2 -","- C32 H36 Cl2 P2 Pd2 S2 -","- C256 H288 Cl16 P16 Pd16 S16 -","8","1","","Dervisi, Athanasia; Horton, Peter N.; Hursthouse, Michael B.","C32H36Cl2P2Pd2S2","Crystal Structure Report Archive","2006","","","1058","","","","","0.71073","MoKα","","0.0533","0.0378","","","0.0858","0.0913","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519776","24.595","0.002","24.595","0.002","48.278","0.006","90","","90","","120","","25291","4","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C144 H96 B3 F78 Fe4 Ga4 O8 -","- C143.88 H95.85 B3 F78 Fe3.99 Ga4 O7.98 -","- C863.28 H575.1 B18 F468 Fe23.94 Ga24 O47.88 -","6","0.333333","","Aldridge, Simon; Horton, Peter N.; Hursthouse, Michael B.","C144H96B3F78Fe4Ga4O8","Crystal Structure Report Archive","2006","","","1180","","","","","0.71073","MoKα","","0.1306","0.0974","","","0.2097","0.227","","","","","","1.141","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519777","8.8804","0.0002","14.1275","0.0004","14.1255","0.0003","91.749","0.002","107.376","0.002","107.382","0.001","1600.04","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 N3 Ni O5 P2 S4 -","- C28 H33 N3 Ni O5 P2 S4 -","- C56 H66 N6 Ni2 O10 P4 S8 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C28H33N3Ni1O5P2S4","Crystal Structure Report Archive","2006","","","229","","","","","0.71073","MoKα","","0.0756","0.0419","","","0.0895","0.1031","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519778","9.1961","0.0003","10.5439","0.0004","12.5033","0.0004","113.948","0.002","98.202","0.002","95.732","0.002","1079.84","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C42 H44 Fe N2 Ni O4 P2 S4 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C21H22Fe0.5N1Ni0.5O2P1S2","Crystal Structure Report Archive","2006","","","231","","","","","0.71073","MoKα","","0.0734","0.0421","","","0.0849","0.0955","","","","","","1.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519779","12.113","0.005","16.307","0.006","19.257","0.008","90","","90","","90","","3804","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N Ni S4 -","- C40 H52 N Ni S4 -","- C160 H208 N4 Ni4 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Male, Louise; Harrington, Ross; Clegg, Bill; Huth, Susanne L.; Hursthouse, Michael B.","C40H52N1Ni1S4","Crystal Structure Report Archive","2006","","","232","","","","","0.6905","synchrotron","","0.0679","0.0529","","","0.122","0.1317","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519780","9.1961","0.0003","10.5439","0.0004","12.5033","0.0004","113.948","0.002","98.202","0.002","95.732","0.002","1079.84","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C21 H22 Fe0.5 N Ni0.5 O2 P S2 -","- C42 H44 Fe N2 Ni O4 P2 S4 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C21H22Fe0.5N1Ni0.5O2P1S2","Crystal Structure Report Archive","2006","","","233","","","","","0.71073","MoKα","","0.0734","0.0421","","","0.0849","0.0955","","","","","","1.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519781","7.0558","0.0003","13.6319","0.0003","14.1191","0.0005","106.205","0.002","95.292","0.002","104.352","0.002","1244.22","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 Br7 N2 -","- C20 H13 Br7 N2 -","- C40 H26 Br14 N4 -","2","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C20H13Br7N2","Crystal Structure Report Archive","2006","","","234","","","","","0.71073","MoKα","","0.071","0.0402","","","0.0795","0.0895","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519782","8.18","0.0002","9.8839","0.0002","10.4172","0.0002","90.737","0.001","101.898","0.001","100.785","0.001","808.42","0.03","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cd N2 O4 P2 S4 -","- C28 H32 Cd N2 O4 P2 S4 -","- C28 H32 Cd N2 O4 P2 S4 -","1","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C28H32Cd1N2O4P2S4","Crystal Structure Report Archive","2006","","","235","","","","","0.71073","MoKα","","0.0313","0.0298","","","0.0748","0.0759","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519783","11.3361","0.0002","11.3717","0.0003","8.3386","0.0002","90","","90","","90","","1074.93","0.04","120","2","120","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C14 H20 Co N2 O4 P2 S4 -","- C14 H20 Co N2 O4 P2 S4 -","- C28 H40 Co2 N4 O8 P4 S8 -","2","0.25","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C14H20Co1N2O4P2S4","Crystal Structure Report Archive","2006","","","237","","","","","0.71073","MoKα","","0.0206","0.0197","","","0.0575","0.0584","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519784","11.9835","0.0003","17.4682","0.0003","15.301","0.0004","90","","98.856","0.001","90","","3164.78","0.13","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N2 O4 P2 S4 Zn -","- C28 H32 N2 O4 P2 S4 Zn -","- C112 H128 N8 O16 P8 S16 Zn4 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C28H32N2O4P2S4Zn","Crystal Structure Report Archive","2006","","","238","","","","","0.71073","MoKα","","0.0545","0.0376","","","0.0756","0.0829","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519785","10.2973","0.0008","29.825","0.005","9.3067","0.0011","90","","90.417","0.01","90","","2858.2","0.6","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C56 H60 Cl2 N8 Ni Pt2 -","- C56 H60 Cl2 N8 Ni Pt2 -","- C112 H120 Cl4 N16 Ni2 Pt4 -","2","0.25","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C56H60Cl2N8Ni1Pt2","Crystal Structure Report Archive","2006","","","241","","","","","0.71073","MoKα","","0.0295","0.0269","","","0.0666","0.0675","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519786","25.0178","0.001","8.8338","0.0002","16.5583","0.0006","90","","97.264","0.002","90","","3630.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 I2 N8 Ni -","- C40 H28 I2 N8 Ni -","- C160 H112 I8 N32 Ni4 -","4","0.5","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.","C40H28I2N8Ni1","Crystal Structure Report Archive","2006","","","242","","","","","0.71073","MoKα","","0.0508","0.0416","","","0.104","0.1101","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519787","6.9077","0.0008","24.201","0.003","7.7428","0.0007","90","","100.062","0.006","90","","1274.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F N4 O3 -","- C13 H11 F N4 O3 -","- C52 H44 F4 N16 O12 -","4","1","","Springer, Caroline J.; Suijkerbuijk, Bart M. J. M.; Davies, Lawrence; Horton, Peter N.; Hursthouse, Michael B.","8-(4-amino-3-fluorophenoxy)pyrido[2,3-b]pyrazin-2(1H)-one","Crystal Structure Report Archive","2007","","","105","","","","","0.71073","MoKα","","0.1575","0.0919","","","0.1507","0.1822","","","","","","1.115","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519788","9.6827","0.0001","22.3776","0.0002","16.0124","0.0002","90","","91.846","0.001","90","","3467.7","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H15 Cl3 N5 O P3 -","- C10 H15 Cl3 N5 O P3 -","- C80 H120 Cl24 N40 O8 P24 -","8","4","","Davies, David B.; Besli, S.; Kilic, A.; Coles, Simon J.; Hursthouse, Michael B.","C10H15Cl3N5OP3","Crystal Structure Report Archive","2007","","","346","","","","","0.71073","MoKα","","0.0345","0.0316","","","0.0696","0.0714","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519789","7.916","0.005","9.901","0.005","20.661","0.005","90","0.005","99.445","0.005","90","0.005","1597.4","1.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 F6 N2 O2 P -","- C14 H15 F6 N2 O2 P -","- C56 H60 F24 N8 O8 P4 -","4","1","","Tomkinson, N; Coles, Simon J.","C14H15N2O2 . PF6","Crystal Structure Report Archive","2007","","","349","","","","","0.71073","MoKα","","0.2326","0.1137","","","0.3083","0.3783","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519790","7.373","0.0005","13.2476","0.001","30.324","0.002","90","","93.123","0.004","90","","2957.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl Fe N2 -","- C18 H11 Cl Fe N2 -","- C144 H88 Cl8 Fe8 N16 -","8","2","","Barnes, Sarah; Holliman, Peter J.; Male, Louise; Hursthouse, Michael B.","C18H11ClFeN2","Crystal Structure Report Archive","2007","","","105","","","","","0.71073","MoKα","","0.1121","0.0617","","","0.1066","0.1245","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519791","8.5795","0.0003","8.5965","0.0002","11.4708","0.0003","90","","98.957","0.002","90","","835.7","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C28 H40 N16 O12 -","4","1","","McDonald, E.; Horton, Peter N.; Hursthouse, Michael B.","3-Amino-2-methyl-2,7-dihydro-pyrazolo[4,3-c]pyridine-4,6-dione hydrate","Crystal Structure Report Archive","2007","","","353","","","","","0.71073","MoKα","","0.0423","0.0349","","","0.0879","0.0937","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519792","7.8484","0.0006","8.3983","0.0007","24.1255","0.0018","90","","90","","90","","1590.2","0.2","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Huth, Susanne L.; Hursthouse, Michael B.","2,3-Dihydro-1,4-benzodioxin-5-ylmethanol","Crystal Structure Report Archive","2007","","","375","","","","","0.71073","MoKα","","0.1106","0.0938","","","0.2549","0.2736","","","","","","1.123","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519793","9.8821","0.0004","10.9251","0.0005","7.1627","0.0003","90","","90","","90","","773.31","0.06","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C36 H40 N8 -","4","1","","Huth, Susanne L.; Hursthouse, Michael B.","1-Methyl-1H-indole-5-amine","Crystal Structure Report Archive","2007","","","376","","","","","0.71073","MoKα","","0.0414","0.0371","","","0.0982","0.1028","","","","","","0.931","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519794","5.1078","0.0004","5.8535","0.0005","16.0142","0.0014","90","","90.624","0.005","90","","478.77","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 O3 -","- C5 H4 O3 -","- C20 H16 O12 -","4","1","","Huth, Susanne L.; Hursthouse, Michael B.","3-Furoic acid - C5H4O3","Crystal Structure Report Archive","2007","","","377","","","","","0.71073","MoKα","","0.0689","0.0407","","","0.0939","0.1048","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519795","9.2976","0.0002","27.3184","0.0005","8.7746","0.0002","90","","107.834","0.001","90","","2121.62","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl Mo N3 O3 -","- C23 H18 Cl Mo N3 O3 -","- C92 H72 Cl4 Mo4 N12 O12 -","4","1","","Hodson, Annabelle; Stephenson, Richard A.; Hursthouse, Michael B.","C23H18Cl1Mo1N3O3","Crystal Structure Report Archive","2007","","","381","","","","","0.71073","MoKα","","0.052","0.0461","","","0.0953","0.0982","","","","","","1.201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519796","6.6318","0.0003","9.4254","0.0004","12.0872","0.0004","112.574","0.002","90.804","0.002","96.144","0.002","692.39","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N4 O3 S -","- C14 H14 N4 O3 S -","- C28 H28 N8 O6 S2 -","2","1","","Collins, Ian; Horton, Peter N.; Hursthouse, Michael B.","3-Amino-6-methyl-2-(toluene-4-sulfonyl)-2,5-dihydro-pyrazolo[4,3-c]pyridin- 4-one","Crystal Structure Report Archive","2007","","","439","","","","","0.71073","MoKα","","0.0785","0.0572","","","0.1083","0.1203","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519797","11.9613","0.0005","6.6856","0.0002","13.445","0.0004","90","","106.263","0.002","90","","1032.15","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","","Harrison, W. T. A.; Male, Louise; Hursthouse, Michael B.","C11H14N2O","Crystal Structure Report Archive","2007","","","337","","","","","0.71073","MoKα","","0.0804","0.0617","","","0.1321","0.146","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519798","13.2503","0.0003","6.9083","0.0002","16.9813","0.0005","90","","102.287","0.002","90","","1518.81","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br2 O2 S2 -","- C14 H8 Br2 O2 S2 -","- C56 H32 Br8 O8 S8 -","4","1","","Skabara, P.J.; Coles, Simon J.; Hursthouse, Michael B.","2-(5-Bromo-4H-1,4-thiophen-2 -ylmethylene)-3-(5-bromo-thiophen-2-ylmethylene)- succinaldehyde","Crystal Structure Report Archive","2007","","","342","","","","","0.71073","MoKα","","0.0495","0.0341","","","0.0648","0.0697","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519799","5.1231","0.0002","8.7759","0.0003","9.2683","0.0003","62.246","0.002","75.259","0.002","82.642","0.002","356.6","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 N O5 -","- C7 H5 N O5 -","- C14 H10 N2 O10 -","2","1","","Montis, Riccardo; Cridlin, Rachel; Horton, Peter N.; Male, Louise","2-Hydroxy-5-Nitrobenzoic Acid","Crystal Structure Report Archive","2007","","","343","","","","","0.71073","MoKα","","0.0443","0.0388","","","0.1011","0.1055","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519800","3.9766","0.0003","16.1062","0.0013","11.5115","0.0009","90","","90.407","0.005","90","","737.27","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hook, Callum S.; Horton, Peter N.; Hursthouse, Michael B.","2-Hydroxy-5-Methoxybenzoic acid","Crystal Structure Report Archive","2007","","","344","","","","","0.71073","MoKα","","0.084","0.0511","","","0.1165","0.1333","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519801","9.7504","0.0003","10.2281","0.0003","14.053","0.0005","95.766","0.002","107.842","0.002","96.617","0.002","1311.46","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O -","- C11 H11 N O -","- C66 H66 N6 O6 -","6","3","","Spencer, John; Male, Louise; Hursthouse, Michael B.","C11H11N1O1","Crystal Structure Report Archive","2007","","","348","","","","","0.71073","MoKα","","0.1204","0.0788","","","0.1445","0.1681","","","","","","1.078","","","","has coordinates","137103","2020-10-21","18:00:00",""
"1519802","5.3732","0.0001","13.4962","0.0004","15.8088","0.0005","95.389","0.001","98.498","0.002","101.201","0.002","1103.32","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","2","","Spencer, John; Male, Louise; Hursthouse, Michael B.","C14H15NO","Crystal Structure Report Archive","2007","","","351","","","","","0.71073","MoKα","","0.094","0.066","","","0.121","0.136","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519803","8.2907","0.0001","8.9556","0.0001","15.0072","0.0001","95.402","0.001","95.11","0.001","101.334","0.001","1081.05","0.02","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H6 Cl9 N7 O P6 -","- C3 H6 Cl9 N7 O P6 -","- C6 H12 Cl18 N14 O2 P12 -","2","1","","Kilic, A.; Besli, S.; Coles, Simon J.","C3H6Cl9N7OP6","Crystal Structure Report Archive","2007","","","352","","","","","0.71073","MoKα","","0.0233","0.0206","","","0.0642","0.0747","","","","","","1.235","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519804","7.3989","0.0003","11.2007","0.0004","20.2402","0.0007","90","","90","","90","","1677.36","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Huth, Susanne L.; Hursthouse, Michael B.","1-Methyl-1H-indole-6-carboxylic acid","Crystal Structure Report Archive","2007","","","368","","","","","0.71073","MoKα","","0.0678","0.0465","","","0.1091","0.1212","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519805","14.2845","0.0008","5.4226","0.0002","22.7593","0.0014","90","","90","","90","","1762.92","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O S -","- C10 H9 N O S -","- C80 H72 N8 O8 S8 -","8","1","","Huth, Susanne L.; Hursthouse, Michael B.","(6-Thien-2-ylpyrid-3-yl)methanol","Crystal Structure Report Archive","2007","","","373","","","","","0.71073","MoKα","","0.2077","0.1062","","","0.1572","0.1995","","","","","","1.179","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519806","13.0538","0.0003","15.5288","0.0003","19.1088","0.0004","90","","90","","90","","3873.54","0.14","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Cl N O2 S -","- C20 H30 Cl N O2 S -","- C160 H240 Cl8 N8 O16 S8 -","8","1","","Stephenson, Richard A; Dobbs, Adrian; Hursthouse, Michael B.","C20H30Cl1N1O2S1","Crystal Structure Report Archive","2007","","","388","","","","","0.71073","MoKα","","0.055","0.0406","","","0.1017","0.1096","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519807","8.2012","0.0001","9.0665","0.0001","12.8131","0.0001","83.344","0.001","84.013","0.001","72.53","0.001","900.23","0.017","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Cl4 N3 O2 P3 -","- C9 H18 Cl4 N3 O2 P3 -","- C18 H36 Cl8 N6 O4 P6 -","2","1","","Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B.","C9H18Cl4N3O2P3","Crystal Structure Report Archive","2007","","","318","","","","","0.71073","MoKα","","0.0256","0.0235","","","0.0614","0.063","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519808","10.7229","0.0001","10.2395","0.0001","20.153","0.0002","90","","92.7121","0.0007","90","","2210.26","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N2 O2 Si2 -","- C21 H28 N2 O2 Si2 -","- C84 H112 N8 O8 Si8 -","4","1","","Taylor, P. G.; Male, Louise; Hursthouse, Michael B.","C21H28N2O2Si2","Crystal Structure Report Archive","2007","","","333","","","","","0.71073","MoKα","","0.038","0.0338","","","0.0839","0.0874","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519809","8.8971","0.0004","9.597","0.0004","9.8882","0.0003","64.918","0.002","81.546","0.002","68.435","0.002","711.13","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H48 N8 O6 -","- C22 H48 N8 O6 -","- C22 H48 N8 O6 -","1","0.5","","Taylor, P. G.; Male, Louise; Hursthouse, Michael B.","C20H40N8O4 . 2(CH4O)","Crystal Structure Report Archive","2007","","","334","","","","","0.71073","MoKα","","0.087","0.0618","","","0.1183","0.1332","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519810","11.9359","0.0003","17.2845","0.0005","21.4406","0.0006","90","","92.581","0.002","90","","4418.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H67 B Cl3 D Fe N2 -","- C46 H68 B Cl3 Fe N2 -","- C184 H272 B4 Cl12 Fe4 N8 -","4","1","","Aldridge, Simon; Male, Louise; Hursthouse, Michael B.","(C29H31BFeN) . (C16H36N) . (CDCl3)","Crystal Structure Report Archive","2007","","","338","","","","","0.71073","MoKα","","0.144","0.0815","","","0.1343","0.1617","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519811","7.8204","0.0002","19.1689","0.0006","11.3839","0.0003","90","","100.727","0.002","90","","1676.72","0.08","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Cl Fe N O3 -","- C17 H20 Cl Fe N O3 -","- C68 H80 Cl4 Fe4 N4 O12 -","4","1","","Connell, Arthur; Holliman, Peter J.; Male, Louise; Hursthouse, Michael B.","C17H20ClFeNO3","Crystal Structure Report Archive","2007","","","340","","","","","0.71073","MoKα","","0.063","0.0437","","","0.1034","0.1133","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519812","6.5148","0.0003","11.4581","0.0005","6.8511","0.0002","90","","111.601","0.002","90","","475.5","0.03","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H8 Fe N2 -","- C12 H8 Fe N2 -","- C24 H16 Fe2 N4 -","2","0.5","","Connell, Arthur; Holliman, Peter J.; Male, Louise; Hursthouse, Michael B.","C12H8FeN2","Crystal Structure Report Archive","2007","","","341","","","","","0.71073","MoKα","","0.0518","0.047","","","0.1137","0.1295","","","","","","1.393","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519813","6.5384","0.0009","7.6439","0.001","18.418","0.003","90","","90","","90","","920.5","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Huth, Susanne L.; Hursthouse, Michael B.","(1-Methyl-3-phenyl-1H-pyrazol-5-yl)methanol","Crystal Structure Report Archive","2007","","","364","","","","","0.71073","MoKα","","0.1113","0.0608","","","0.1241","0.142","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519814","22.5496","0.0004","22.5496","0.0004","6.3581","0.0002","90","","90","","90","","3233","0.13","120","2","120","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C144 H160 O48 -","16","1","","Huth, Susanne L.; Hursthouse, Michael B.","2-Hydroxymethyl-1,4-benzodioxan","Crystal Structure Report Archive","2007","","","365","","","","","0.71073","MoKα","","0.072","0.0467","","","0.1089","0.1221","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519815","20.4199","0.0005","9.0684","0.0004","13.7141","0.0003","90","","132.07","0.001","90","","1885.15","0.11","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C80 H72 N24 O16 -","8","1","","Huth, Susanne L.; Hursthouse, Michael B.","2-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid","Crystal Structure Report Archive","2007","","","366","","","","","0.71073","MoKα","","0.0721","0.0495","","","0.0927","0.1052","","","","","","1.086","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519816","10.0846","0.0003","10.4718","0.0003","10.9149","0.0003","106.718","0.001","111.473","0.002","95.603","0.002","1000.33","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 N O S -","- C6 H7 N O S -","- C36 H42 N6 O6 S6 -","6","3","","Huth, Susanne L.; Hursthouse, Michael B.","4-Methylthiophene-2-carboxamide","Crystal Structure Report Archive","2007","","","374","","","","","0.71073","MoKα","","0.0943","0.0699","","","0.1732","0.196","","","","","","1.126","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519817","11.9582","0.0002","23.1506","0.0003","23.5489","0.0004","79.225","0.001","82.965","0.001","75.447","0.001","6179.27","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H90 Cl4 N8 O4 -","- C58 H90 Cl4 N8 O4 -","- C232 H360 Cl16 N32 O16 -","4","2","","Navakhun, K.; Gale, Phil A.; Coles, Simon J.; Hursthouse, Michael B.","Ethyl-bis-(3,4-dichloro-5-phenylcarbamoyl-1H-pyrrole-2-carboxylic acid amide). tetrabutylammonium","Crystal Structure Report Archive","2007","","","316","","","","","0.71073","MoKα","","0.1288","0.0701","","","0.171","0.2074","","","","","","1.013","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1519818","11.4593","0.0002","16.8538","0.0002","19.0612","0.0002","90","","90","","90","","3681.34","0.09","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Cl4 N3 O2 P3 -","- C9 H18 Cl4 N3 O2 P3 -","- C72 H144 Cl32 N24 O16 P24 -","8","1","","Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B.","C9H18Cl4N3O2P3","Crystal Structure Report Archive","2007","","","317","","","","","0.71073","MoKα","","0.0383","0.031","","","0.0779","0.0821","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519819","8.34","0.0002","10.7116","0.0002","11.0362","0.0003","107.886","0.001","96.645","0.001","99.433","0.002","910.99","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N O4 P -","- C18 H22 N O4 P -","- C36 H44 N2 O8 P2 -","2","1","","Tomkinson, N; Coles, Simon J.; Hursthouse, Michael B.","C18H22NO4P","Crystal Structure Report Archive","2007","","","321","","","","","0.71073","MoKα","","0.0426","0.035","","","0.0859","0.0899","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519820","19.6704","0.0007","4.7195","0.0002","14.9893","0.0005","90","","112.153","0.002","90","","1288.8","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br O4 -","- C14 H11 Br O4 -","- C56 H44 Br4 O16 -","4","1","","Jones, Ray; Stephenson, Richard; Hursthouse, Michael B.","ethyl(3-bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetate","Crystal Structure Report Archive","2007","","","322","","","","","0.71073","MoKα","","0.0625","0.0444","","","0.0828","0.0918","","","","","","1.133","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519821","9.3182","0.0001","15.1558","0.0002","18.9653","0.0002","90","","99.587","0.001","90","","2640.96","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 B N2 O2 -","- C32 H31 B N2 O2 -","- C128 H124 B4 N8 O8 -","4","1","","Tomkinson, N.; Coles, Simon J.; Hursthouse, Michael B.","C32H31BN2O2","Crystal Structure Report Archive","2007","","","323","","","","","0.71073","MoKα","","0.0522","0.0406","","","0.0944","0.1008","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519822","10.6315","0.0002","12.0869","0.0002","15.6257","0.0003","90","","101.585","0.001","90","","1967.03","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 Cl4 N3 O2 P3 -","- C11 H22 Cl4 N3 O2 P3 -","- C44 H88 Cl16 N12 O8 P12 -","4","1","","Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B.","C11H22Cl4N3O2P3","Crystal Structure Report Archive","2007","","","324","","","","","0.71073","MoKα","","0.036","0.0284","","","0.0667","0.0705","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519823","15.4076","0.0003","12.9924","0.0004","9.38","0.0003","90","","90","","90","","1877.7","0.09","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 Cl N O2 S -","- C19 H28 Cl N O2 S -","- C76 H112 Cl4 N4 O8 S4 -","4","1","","Fry, F. H.; Male, Louise; Hursthouse, Michael B.","C19H28ClNO2S","Crystal Structure Report Archive","2007","","","332","","","","","0.71073","MoKα","","0.0743","0.0699","","","0.1726","0.1761","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519824","22.2448","0.0016","5.1191","0.0002","15.6074","0.001","90","","95.838","0.003","90","","1768.05","0.18","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 O3 -","- C11 H8 O3 -","- C88 H64 O24 -","8","1","","Huth, Susanne L.; Hursthouse, Michael B.","3-(2-Furyl)benzoic acid","Crystal Structure Report Archive","2007","","","367","","","","","0.71073","MoKα","","0.1063","0.0581","","","0.1186","0.1359","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519825","6.2391","0.0002","13.8231","0.0005","6.4019","0.0002","90","","96.887","0.002","90","","548.14","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N O3 -","- C5 H5 N O3 -","- C20 H20 N4 O12 -","4","1","","Huth, Susanne L.; Hursthouse, Michael B.","3-Methylisoxazole-5-carboxylic acid","Crystal Structure Report Archive","2007","","","370","","","","","0.71073","MoKα","","0.0461","0.0424","","","0.112","0.1153","","","","","","1.203","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519826","11.2506","0.0004","7.8725","0.0004","10.5817","0.0004","90","","115.098","0.002","90","","848.74","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O5 -","- C8 H7 N O5 -","- C32 H28 N4 O20 -","4","1","","Huth, Susanne L.; Hursthouse, Michael B.","5-(2-Furyl)isoxazole-3-carboxylic acid","Crystal Structure Report Archive","2007","","","372","","","","","0.71073","MoKα","","0.1231","0.0724","","","0.1192","0.1428","","","","","","1.115","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519827","18.0459","0.0005","16.968","0.0005","9.5823","0.0001","90","","97.198","0.002","90","","2911","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F6 N P -","- C13 H16 F6 N P -","- C104 H128 F48 N8 P8 -","8","2","","Tomkinson, N.; Coles, Simon J.; Hursthouse, Michael B.; Coles, Simon J.","1-((E)-3-Phenyl-propenyl)-pyrrolidine","Crystal Structure Report Archive","2007","","","307","","","","","0.71073","MoKα","","0.0825","0.0552","","","0.1405","0.1583","","","","","","1.04","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519828","11.756","0.0004","15.6189","0.0003","18.4464","0.0006","90","","90","","90","","3387.05","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 F6 N2 O P -","- C13 H19 F6 N2 O P -","- C104 H152 F48 N16 O8 P8 -","8","2","","Tomkinson, N.; Coles, Simon J.; Hursthouse, Michael B.","5-Benzyl-2,2,3-trimethyl-imidazolidin-4-one","Crystal Structure Report Archive","2007","","","308","","","","","0.71073","MoKα","","0.1229","0.0549","","","0.1265","0.1542","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519829","11.4892","0.0001","11.4892","0.0001","16.7646","0.0003","90","","90","","90","","2212.96","0.05","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C18H24N5O2P3S2","Crystal Structure Report Archive","2007","","","312","","","","","0.71073","MoKα","","0.0299","0.0279","","","0.0572","0.0583","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519830","21.5033","0.0015","6.2034","0.0004","19.1972","0.0013","90","","114.465","0.007","90","","2330.9","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C108 H116 N4 O16 -","4","0.5","","Cheesewright, J.E.; Grossel, M.G.; Grossel, M.C.; Hursthouse, Michael B.; Coles, Simon J.","Bis(2,4,6trimethybenzyl)pyridine-2,6-dicarboxylate","Crystal Structure Report Archive","2007","","","313","","","","","0.71073","MoKα","","0.155","0.1161","","","0.3106","0.3358","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519831","3.8278","0.0002","18.905","0.0012","10.8874","0.0006","90","","95.649","0.004","90","","784.04","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Cl2 N2 -","- C8 H4 Cl2 N2 -","- C32 H16 Cl8 N8 -","4","0.5","","Coles, Simon J.; Hursthouse, Michael B.","2,3-Dichloro-quinoxaline","Crystal Structure Report Archive","2007","","","314","","","","","0.71073","MoKα","","0.0311","0.0279","","","0.0693","0.0717","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519832","11.9582","0.0002","23.1506","0.0003","23.5489","0.0004","79.225","0.001","82.965","0.001","75.447","0.001","6179.27","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H90 Cl4 N8 O4 -","- C58 H90 Cl4 N8 O4 -","- C232 H360 Cl16 N32 O16 -","4","2","","Navakhun, K.; Gale, Phil A.; Coles, Simon J.; Hursthouse, Michael B.","Ethyl-bis-(3,4-dichloro-5-phenylcarbamoyl-1H-pyrrole-2-carboxylic acid amide). tetrabutylammonium","Crystal Structure Report Archive","2007","","","325","","","","","0.71073","MoKα","","0.1288","0.0701","","","0.171","0.2074","","","","","","1.013","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1519833","11.9582","0.0002","23.1506","0.0003","23.5489","0.0004","79.225","0.001","82.965","0.001","75.447","0.001","6179.27","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H90 Cl4 N8 O4 -","- C58 H90 Cl4 N8 O4 -","- C232 H360 Cl16 N32 O16 -","4","2","","Navakhun, K.; Gale, Phil A.; Coles, Simon J.; Hursthouse, Michael B.","Ethyl-bis-(3,4-dichloro-5-phenylcarbamoyl-1H-pyrrole-2-carboxylic acid amide). tetrabutylammonium","Crystal Structure Report Archive","2007","","","326","","","","","0.71073","MoKα","","0.1288","0.0701","","","0.171","0.2074","","","","","","1.013","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1519834","9.3955","0.0005","4.8267","0.0002","10.9702","0.0005","90","","104.999","0.003","90","","480.54","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N4 O -","- C9 H12 N4 O -","- C18 H24 N8 O2 -","2","1","","Huth, Susanne L.; Hursthouse, Michael B.; Withnell, James","2-(1H-1,2,4-Triazol-1-ylmethyl)aniline","Crystal Structure Report Archive","2007","","","363","","","","","0.71073","MoKα","","0.0755","0.0553","","","0.0988","0.1107","","","","","","1.133","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519835","15.3278","0.0004","4.3325","0.0002","15.1614","0.0005","90","","108.576","0.002","90","","954.38","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N O S -","- C10 H8 Cl N O S -","- C40 H32 Cl4 N4 O4 S4 -","4","1","","Huth, Susanne L.; Hursthouse, Michael B.","[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol","Crystal Structure Report Archive","2007","","","369","","","","","0.71073","MoKα","","0.0884","0.0623","","","0.1272","0.1425","","","","","","1.112","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519836","8.1628","0.0003","7.9648","0.0003","11.0496","0.0004","90","","95.23","0.002","90","","715.4","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N O3 -","- C8 H5 N O3 -","- C32 H20 N4 O12 -","4","1","","Huth, Susanne L.; Hursthouse, Michael B.","[5-(2-Furyl)isoxazole-3-yl]methylamine","Crystal Structure Report Archive","2007","","","371","","","","","0.71073","MoKα","","0.043","0.0377","","","0.0923","0.0978","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519837","11.0751","0.0002","4.9441","0.0001","22.847","0.0005","90","","97.556","0.001","90","","1240.16","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Berry, D.; Blagden, N.; Coles, Simon J.; Hursthouse, Michael B.; Coles, Simon J.","2-Hydroxy-benzoic acid nicotinamide","Crystal Structure Report Archive","2007","","","295","","","","","0.71073","MoKα","","0.0652","0.0461","","","0.1109","0.1226","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519838","15.5139","0.0003","5.632","0.0001","18.7366","0.0004","90","","93.038","0.001","90","","1634.8","0.06","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Knight, D.W.; Coles, Simon J.; Hursthouse, Michael B.; Coles, Simon J.","1,2,4-Triphenyl-but-3-yne-1,2-diol","Crystal Structure Report Archive","2007","","","296","","","","","0.71073","MoKα","","0.0879","0.0598","","","0.1408","0.1548","","","","","","1.124","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519839","13.3686","0.0005","10.4704","0.0004","8.7799","0.0003","90","","90","","90","","1228.96","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","1","","Uslu, A.; Odlyha, M.; Kilic, A.; Shaw, R.A.; Davies, David B.; Light, Mark E.; Huth, Susanne. L.; Coles, Simon J.; Rutherford, J.S.; Hursthouse, Michael B.","2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene","Crystal Structure Report Archive","2007","","","299","","","","","0.71073","MoKα","","0.0286","0.0253","","","0.0567","0.0579","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519840","13.4804","0.0014","10.6442","0.0009","8.8479","0.0007","90","","90","","90","","1269.6","0.2","274","2","274","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","1","","Kilic, A.; Odlyha, M.; Uslu, A.; Davies, David B.; Shaw, R.A.; Light, Mark E.; Coles, Simon J.; Huth, Susanne. L.; Hursthouse, Michael B.; Rutherford, J.S.","2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene","Crystal Structure Report Archive","2007","","","300","","","","","0.71073","MoKα","","0.038","0.0334","","","0.0871","0.0905","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519841","10.666","0.002","13.489","0.003","8.8593","0.0018","90","","90","","90","","1274.6","0.5","294","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","0.5","","Uslu, A.; Odlyha, M.; Kilic, A.; Shaw, R.A.; Davies, David B.; Light, Mark E.; Huth, Susanne. L.; Coles, Simon J.; Rutherford, J.S.; Hursthouse, Michael B.","2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene","Crystal Structure Report Archive","2007","","","301","","","","","0.71073","MoKα","","0.0479","0.0366","","","0.0877","0.0933","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519842","9.4791","0.0002","10.2283","0.0002","11.4144","0.0003","88.423","0.002","78.172","0.002","79.694","0.002","1065.66","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Cl3 N5 P3 -","- C16 H25 Cl3 N5 P3 -","- C32 H50 Cl6 N10 P6 -","2","1","","Shaw, R.A.; Davies, David B.; Coles, Simon J.","C16H25Cl3N5P3","Crystal Structure Report Archive","2007","","","305","","","","","0.71073","MoKα","","0.0368","0.0316","","","0.0787","0.0818","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519843","7.1493","0.0001","18.6099","0.0006","8.8649","0.0002","90","","113.221","0.002","90","","1083.91","0.05","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Cl2 N2 O3 Si2 -","- C16 H26 Cl2 N2 O3 Si2 -","- C32 H52 Cl4 N4 O6 Si4 -","2","0.5","","Taylor, P. G.; Male, Louise; Hursthouse, Michael B.","C16H26Cl2N2O3Si2","Crystal Structure Report Archive","2007","","","330","","","","","0.71073","MoKα","","0.0499","0.0435","","","0.1141","0.1266","","","","","","1.279","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519844","9.2979","0.0005","18.4632","0.0008","18.9798","0.0009","90","","99.325","0.003","90","","3215.2","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 Ga I3 Mo O2 P -","- C27 H41 Ga I3 Mo O2 P -","- C108 H164 Ga4 I12 Mo4 O8 P4 -","4","1","","Aldridge, Simon; Male, Louise; Hursthouse, Michael B.","(C18H34P) . (C9H7GaI3MoO2)","Crystal Structure Report Archive","2007","","","339","","","","","0.71073","MoKα","","0.0947","0.0731","","","0.1836","0.2047","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519845","8.1461","0.0003","5.973","0.0002","9.5815","0.0003","90","","100.94","0.002","90","","457.73","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C20 H24 N4 O4 -","2","1","","Huth, Susanne L.; Hursthouse, Michael B.; Withnell, James","6-Morpholinopyridine-2-carbaldehyde","Crystal Structure Report Archive","2007","","","355","","","","","0.71073","MoKα","","0.0355","0.0331","","","0.0779","0.0801","","","","","","1.124","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519846","8.7992","0.0003","9.0108","0.0002","9.3873","0.0003","73.957","0.002","78.099","0.002","63.845","0.002","638.99","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 B5 N O11 -","- C4 H14 B5 N O11 -","- C8 H28 B10 N2 O22 -","2","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.","C4H14B5NO11","Crystal Structure Report Archive","2007","","","427","","","","","0.71073","MoKα","","0.0457","0.0385","","","0.0817","0.0865","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519856","11.5009","0.0001","11.5009","0.0001","16.7834","0.0001","90","","90","","90","","2219.95","0.03","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Coles, Simon J.; Hursthouse, Michael B.","C18H24N5O2P3S2","Crystal Structure Report Archive","2007","","","286","","","","","0.71073","MoKα","","0.0231","0.0218","","","0.0533","0.0539","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519857","15.8005","0.0006","5.1763","0.0001","16.9786","0.0006","90","","99.723","0.002","90","","1368.7","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O5 S -","- C13 H13 N O5 S -","- C52 H52 N4 O20 S4 -","4","1","","McDonald, E.; Horton, Peter N.; Hursthouse, Michael B.","((E)-2-Benzenesulfonyl-2-cyano-vinyloxy)-acetic acid ethyl ester","Crystal Structure Report Archive","2007","","","288","","","","","0.71073","MoKα","","0.0722","0.0566","","","0.107","0.1168","","","","","","1.094","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519858","10.6006","0.0006","9.5629","0.0004","19.5682","0.0011","90","","91.038","0.002","90","","1983.35","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N5 O2 P3 -","- C18 H24 N5 O2 P3 -","- C72 H96 N20 O8 P12 -","4","1","","Davies, David B.; Besli, S.; Kilic, A.; Coles, Simon J.; Hursthouse, Michael B.","C18H24N5O2P3","Crystal Structure Report Archive","2007","","","289","","","","","0.71073","MoKα","","0.0947","0.0749","","","0.1747","0.1925","","","","","","1.092","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519859","7.8088","0.0004","7.3343","0.0002","13.411","0.0007","90","","104.984","0.002","90","","741.96","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","McDonald, E.; Horton, Peter N.; Hursthouse, Michael B.","3-Amino-2-methyl-2,7-dihydro-pyrazolo[4,3-c]pyridine-4,6-dione","Crystal Structure Report Archive","2007","","","290","","","","","0.71073","MoKα","","0.0799","0.0608","","","0.1167","0.1287","","","","","","1.105","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519860","18.5797","0.0005","10.6257","0.0003","8.3867","0.0001","90","","98.718","0.002","90","","1636.59","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F9 N P -","- C14 H15 F9 N P -","- C56 H60 F36 N4 P4 -","4","1","","Tomkinson, N.; Coles, Simon J.; Hursthouse, Michael B.; Coles, Simon J.","C14H15NF3 . PF6","Crystal Structure Report Archive","2007","","","297","","","","","0.71073","MoKα","","0.053","0.0395","","","0.0978","0.1047","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519861","9.7832","0.0002","10.042","0.0002","11.5984","0.0002","90","","109.228","0.001","90","","1075.9","0.04","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl N5 O2 P3 -","- C18 H25 Cl N5 O2 P3 -","- C36 H50 Cl2 N10 O4 P6 -","2","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Coles, Simon J.; Hursthouse, Michael B.","C18H25ClN5O2P3","Crystal Structure Report Archive","2007","","","298","","","","","0.71073","MoKα","","0.0348","0.034","","","0.1002","0.1012","","","","","","1.018","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519862","9.4197","0.0001","9.4197","0.0001","42.348","0.0009","90","","90","","90","","3757.57","0.1","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C15 H17 Cl2 N4 O P3 -","- C15 H17 Cl2 N4 O P3 -","- C120 H136 Cl16 N32 O8 P24 -","8","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C15H17Cl2N4OP3","Crystal Structure Report Archive","2007","","","302","","","","","0.71073","MoKα","","0.0886","0.0563","","","0.1448","0.1695","","","","","","1.109","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519863","14.6358","0.0002","16.3497","0.0002","12.3448","0.0001","90","","107.455","0.001","90","","2817.98","0.06","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H12 Cl8 N8 O P6 -","- C12 H12 Cl8 N8 O P6 -","- C48 H48 Cl32 N32 O4 P24 -","4","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C12H12Cl8N8OP6","Crystal Structure Report Archive","2007","","","303","","","","","0.71073","MoKα","","0.0332","0.0303","","","0.0662","0.0675","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519864","8.6518","0.0001","11.3633","0.0001","16.0178","0.0002","90","","102.006","0.001","90","","1540.31","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cl8 N8 P6 -","- C12 H26 Cl8 N8 P6 -","- C24 H52 Cl16 N16 P12 -","2","0.5","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C12H26Cl8N8P6","Crystal Structure Report Archive","2007","","","304","","","","","0.71073","MoKα","","0.0321","0.0284","","","0.0705","0.0726","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519865","7.2319","0.0001","11.072","0.0003","18.1646","0.0005","90","","90","","90","","1454.47","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O2 Si -","- C13 H21 N O2 Si -","- C52 H84 N4 O8 Si4 -","4","1","","Taylor, P. G.; Male, Louise; Hursthouse, Michael B.","C13H21NO2Si","Crystal Structure Report Archive","2007","","","331","","","","","0.71073","MoKα","","0.0492","0.0457","","","0.1094","0.1123","","","","","","1.261","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519866","9.0231","0.0006","9.1863","0.0006","12.5757","0.0009","106.174","0.004","97.221","0.004","110.245","0.004","910.31","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H25 N3 O5 -","- C14 H25 N3 O5 -","- C28 H50 N6 O10 -","2","1","","Murphy, P J.; Stephenson, Richard; Hursthouse, Michael B.","{(2E,4R)-2-[(tert-butoxycarbonyl)imino]imidazolidin-4-yl}methyl tert-butyl carbonate","Crystal Structure Report Archive","2007","","","259","","","","","0.71073","MoKα","","0.1405","0.0883","","","0.1374","0.1583","","","","","","1.145","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519867","11.4912","0.0001","11.4912","0.0001","16.789","0.0002","90","","90","","90","","2216.95","0.04","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","","Shaw, R. A.; Davies, David B.; Kilic, A.; Yesilot, S.; Coles, Simon J.; Hursthouse, Michael B.","C18H24N5O2P3S2","Crystal Structure Report Archive","2007","","","263","","","","","0.71073","MoKα","","0.0193","0.0188","","","0.0491","0.0494","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519868","4.951","0.0001","7.8949","0.0003","18.7417","0.0007","90","","90","","90","","732.57","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dihydrothieno[3,4-B][1,4]dioxin-5-ylmethanol","","- C7 H8 O3 S -","- C7 H8 O3 S -","- C28 H32 O12 S4 -","4","1","","Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J.","2,3-Dihydrothieno[3,4-B][1,4]dioxin-5-ylmethanol","Crystal Structure Report Archive","2007","","","264","","","","","0.71073","MoKα","","0.0358","0.0312","","","0.0657","0.0683","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519869","14.2194","0.0003","10.2937","0.0002","20.6731","0.0005","90","","95.272","0.001","90","","3013.13","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 B N O -","- C19 H18 B N O -","- C152 H144 B8 N8 O8 -","8","2","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.","2-(2-Ethoxy)pyridine diphenylborinate","Crystal Structure Report Archive","2007","","","265","","","","","0.71073","MoKα","","0.0678","0.0518","","","0.1016","0.1113","","","","","","1.097","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519870","20.9041","0.0007","14.5008","0.0005","5.9078","0.0002","90","","102.021","0.002","90","","1751.54","0.1","120","2","120","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C12 H8 Cl8 F16 N6 O4 P6 -","- C12 H8 Cl8 F16 N6 O4 P6 -","- C24 H16 Cl16 F32 N12 O8 P12 -","2","0.25","","Davies, David B.; Besli, S.; Kilic, A.; Coles, Simon J.; Hursthouse, Michael B.","C24H16Cl16F32N12O8P12","Crystal Structure Report Archive","2007","","","266","","","","","0.71073","MoKα","","0.087","0.084","","","0.2468","0.2484","","","","","","1.156","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519871","6.0475","0.0004","27.1376","0.0015","10.4986","0.0007","90","","96.177","0.003","90","","1712.97","0.19","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Cl4 F8 N3 O2 P3 -","- C6 H4 Cl4 F8 N3 O2 P3 -","- C24 H16 Cl16 F32 N12 O8 P12 -","4","1","","Davies, David B.; Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B.","C6H4Cl4F8N3O2P3","Crystal Structure Report Archive","2007","","","267","","","","","0.71073","MoKα","","0.0771","0.0633","","","0.1287","0.1381","","","","","","1.1","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519872","11.054","0.0003","11.9883","0.0004","11.2576","0.0004","90","","96.475","0.002","90","","1482.33","0.08","120","2","120","2","","","","","","","Gareth Bates","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 F6 N4 Si -","- C10 H18 F6 N4 Si -","- C40 H72 F24 N16 Si4 -","4","0.5","","Gale, Phil A.; Bates, Gareth W.; Light, Mark E.","bis(1,3-dimethylimidazolium) hexafluorosilicate","Crystal Structure Report Archive","2007","","","276","","","","","0.71073","MoKα","","0.0523","0.0435","","","0.0944","0.1","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519873","10.0118","0.0008","4.3353","0.0003","16.617","0.0014","90","","106.29","0.002","90","","692.29","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydrothieno[3,4-B][1,4]dioxine-5-carbaldehyde","","- C7 H6 O3 S -","- C7 H6 O3 S -","- C28 H24 O12 S4 -","4","1","","Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J.","2,3-Dihydrothieno[3,4-B][1,4]dioxine-5-carbaldehyde","Crystal Structure Report Archive","2007","","","277","","","","","0.71073","MoKα","","0.0913","0.0727","","","0.1614","0.1854","","","","","","1.094","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519874","12.7013","0.0004","16.5159","0.0006","4.3164","0.0001","90","","90","","90","","905.47","0.05","120","2","120","2","","","","","","","","4","P n n 2","P 2 -2n","34","","[2-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","1","","Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J.","[2-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol","Crystal Structure Report Archive","2007","","","282","","","","","0.71073","MoKα","","0.0424","0.0329","","","0.0785","0.0829","","","","","","1.105","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519875","15.0606","0.0007","14.3262","0.0007","8.1711","0.0005","90","","90","","90","","1763.01","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Chloromethyl)-1-methyl-1H-indazole","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C72 H72 Cl8 N16 -","8","2","","Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J.","3-(Chloromethyl)-1-methyl-1H-indazole","Crystal Structure Report Archive","2007","","","283","","","","","0.71073","MoKα","","0.0958","0.0656","","","0.1321","0.1497","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519876","7.4546","0.0004","14.7589","0.0009","14.8296","0.0007","90","","94.816","0.003","90","","1625.82","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-1H-indazole-3-carboxylic acid","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C72 H64 N16 O16 -","8","2","","Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J.","1-Methyl-1H-indazole-3-carboxylic acid","Crystal Structure Report Archive","2007","","","284","","","","","0.71073","MoKα","","0.1186","0.0772","","","0.1413","0.1628","","","","","","1.104","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519877","7.817","0.0003","9.2412","0.0002","10.0613","0.0003","85.45","0.002","67.97","0.002","79.532","0.002","662.48","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)- 2,3-dihydrothieno[3,4-B][1,4]dioxine","","- C12 H17 B O4 S -","- C12 H17 B O4 S -","- C24 H34 B2 O8 S2 -","2","1","","Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J.","5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)- 2,3-dihydrothieno[3,4-B][1,4]dioxine","Crystal Structure Report Archive","2007","","","285","","","","","0.71073","MoKα","","0.0651","0.0509","","","0.1061","0.1158","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519878","4.7821","0.0004","13.417","0.0016","13.9793","0.0015","90","","92.527","0.007","90","","896.06","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[2-(trifluoromethyl)phenyl]acetamide","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-[2-(trifluoromethyl)phenyl]acetamide","Crystal Structure Report Archive","2008","","","1366","","","","","0.71073","MoKα","","0.1021","0.0663","","","0.126","0.1394","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519879","4.5852","0.0002","21.3953","0.001","9.431","0.0004","90","","90.001","0.003","90","","925.2","0.07","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-ethylphenyl)acetamide","Crystal Structure Report Archive","2008","","","1398","","","","","0.71073","MoKα","","0.0433","0.0376","","","0.0934","0.097","","","","","","1.061","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519880","12.4636","0.0008","7.3364","0.0008","15.1611","0.0016","90","","91.529","0.006","90","","1385.8","0.2","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C27 H36 B Cl F2 N2 -","- C27 H36 B Cl F2 N2 -","- C54 H72 B2 Cl2 F4 N4 -","2","0.5","","Aldridge, Simon; Callear, Samantha K.; Hursthouse, Michael B.","C27H36BClF2N2","Crystal Structure Report Archive","2008","","","618","","","","","0.71073","MoKα","","0.3297","0.1746","","","0.2436","0.3107","","","","","","1.124","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519881","8.1291","0.0003","10.8097","0.0004","11.8595","0.0005","109.321","0.002","103.396","0.002","100.002","0.002","920.42","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl2 N2 O2 Si -","- C14.065 H16.195 Cl1.935 N2 O2 Si -","- C28.13 H32.39 Cl3.87 N4 O4 Si2 -","2","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C14H16Cl2N2O2Si","Crystal Structure Report Archive","2008","","","619","","","","","0.71073","MoKα","","0.0808","0.056","","","0.1436","0.1558","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519882","10.6069","0.0012","10.7107","0.0013","10.7782","0.0015","83.058","0.007","64.192","0.006","88.751","0.009","1093.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 N2 O2 Si2 -","- C10 H22 N2 O2 Si2 -","- C30 H66 N6 O6 Si6 -","3","1.5","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C10H22N2O2Si2","Crystal Structure Report Archive","2008","","","620","","","","","0.71073","MoKα","","0.2538","0.1451","","","0.2243","0.2719","","","","","","1.176","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519883","5.2557","0.0001","10.3241","0.0004","24.6007","0.0009","90","","90","","90","","1334.84","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Collins, Ian; Welford, Amanda; Horton, Peter N.; Callear, Samantha K.; Hursthouse, Michael B.","C15H22O3","Crystal Structure Report Archive","2008","","","622","","","","","0.71073","MoKα","","0.0479","0.0392","","","0.0847","0.0887","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519884","20.7183","0.0007","12.6104","0.0005","9.1726","0.0003","90","","109.3","0.002","90","","2261.81","0.14","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-bis(3-Fluorophenyl)urea","","- C13 H10 F2 N2 O -","- C13 H10 F2 N2 O -","- C104 H80 F16 N16 O8 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Fluorophenyl)urea","Crystal Structure Report Archive","2008","","","686","","","","","0.71073","MoKα","","0.0835","0.0595","","","0.1137","0.127","","","","","","1.107","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519885","11.5691","0.0004","11.5772","0.0004","4.6662","0.0001","90","","90","","90","","624.98","0.03","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N,N'-bis(2-Bromoyphenyl)urea","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(2-Bromoyphenyl)urea","Crystal Structure Report Archive","2008","","","689","","","","","0.71073","MoKα","","0.0295","0.0276","","","0.0588","0.0597","","","","","","1.092","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519886","15.6207","0.0004","5.3929","0.0001","8.6541","0.0002","90","","90","","90","","729.03","0.03","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Methylanilinium chloride","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C28 H40 Cl4 N4 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","2-Methylaniliniumchloride","Crystal Structure Report Archive","2008","","","696","","","","","0.71073","MoKα","","0.0219","0.0215","","","0.0529","0.0532","","","","","","1.115","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519887","8.2778","0.0003","7.0864","0.0002","14.7146","0.0005","90","","97.23","0.002","90","","856.29","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridinium trifluoroacetate","","- C7 H7 F3 N2 O2 -","- C7 H7 F3 N2 O2 -","- C28 H28 F12 N8 O8 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","3-Aminopyridiniumtrifluoroacetate","Crystal Structure Report Archive","2008","","","698","","","","","0.71073","MoKα","","0.0479","0.0432","","","0.1051","0.1085","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519888","3.8114","0.0004","11.336","0.0014","18.3264","0.0017","90","","90","","90","","791.81","0.15","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-cyanophenyl)acetamide","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-cyanophenyl)acetamide","Crystal Structure Report Archive","2008","","","1365","","","","","0.71073","MoKα","","0.0673","0.0557","","","0.1262","0.1319","","","","","","1.089","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519889","8.4447","0.0003","19.281","0.0012","7.3108","0.0005","90","","117.051","0.004","90","","1060.14","0.11","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 4-acetamidobenzoate","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","Ethyl 4-acetamidobenzoate","Crystal Structure Report Archive","2008","","","1396","","","","","0.71073","MoKα","","0.041","0.0355","","","0.081","0.085","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519890","7.2306","0.0005","9.4023","0.0008","9.5351","0.0008","119.096","0.004","96.715","0.005","98.833","0.005","545.76","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H12 Cl F N O2 Si -","- C9 H13 Cl F N O Si -","- C18 H26 Cl2 F2 N2 O2 Si2 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Taylor, P. G.","C8H12ClFNO2Si","Crystal Structure Report Archive","2008","","","608","","","","","0.71073","MoKα","","0.1003","0.0826","","","0.221","0.2356","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519891","7.272","0.0015","7.404","0.0015","18.131","0.004","86.13","0.03","78.47","0.03","89.29","0.03","954.3","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H3 Mo Nd O8 S -","- C5 H3 Mo Nd O8 S -","- C20 H12 Mo4 Nd4 O32 S4 -","4","2","","Fogg, Andrew; Callear, Samantha K.","C5H3MoNdO8S","Crystal Structure Report Archive","2008","","","609","","","","","0.71073","MoKα","","0.1004","0.0728","","","0.1524","0.169","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519892","8.7385","0.0002","9.1156","0.0001","16.4786","0.0003","90","","91.064","0.001","90","","1312.4","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N S2 -","- C14 H15.999 N S2 -","- C56 H63.996 N4 S8 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","C14H16NS2","Crystal Structure Report Archive","2008","","","612","","","","","0.71073","MoKα","","0.0415","0.0342","","","0.0897","0.095","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519893","12.183","","12.325","","16.518","","96.11","","106.87","","114.86","","2077.73","","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Mn3 N3 O19 S2 -","- C34 H36 Mn3 N3 O19 S2 -","- C68 H72 Mn6 N6 O38 S4 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.; Brechin, Euan","C34H36Mn3N3O19S2","Crystal Structure Report Archive","2008","","","613","","","","","0.71073","MoKα","","0.0568","0.0426","","","0.1118","0.1201","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519894","7.6668","0.0002","10.8424","0.0004","12.641","0.0005","79.319","0.002","73.438","0.002","73.223","0.002","958.23","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl5 N2 O2 Si -","- C14 H15 Cl5 N2 O2 Si -","- C28 H30 Cl10 N4 O4 Si2 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Taylor, P. G.","C14H15Cl5N2O2Si","Crystal Structure Report Archive","2008","","","616","","","","","0.71073","MoKα","","0.0504","0.0383","","","0.0932","0.0992","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519895","6.7095","0.0003","4.7163","0.0003","20.0338","0.0013","90","","92.902","0.004","90","","633.14","0.06","120","2","120","2","","","","","","","","4","I 1 2 1","I 2y","5","","N,N'-bis(3-Nitrophenyl)urea","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C26 H20 N8 O10 -","2","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Nitrophenyl)urea","Crystal Structure Report Archive","2008","","","687","","","","","0.71073","MoKα","","0.0567","0.0444","","","0.0853","0.0927","","","","","","1.125","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519896","9.5899","0.001","14.5337","0.0014","4.6028","0.0003","90","","90","","90","","641.52","0.1","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C30 H32 N4 O2 -","2","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Methylphenyl)urea","Crystal Structure Report Archive","2008","","","688","","","","","0.71073","MoKα","","0.0632","0.0465","","","0.1044","0.1137","","","","","","1.093","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519897","13.3567","0.0004","7.6145","0.0003","11.0805","0.0003","90","","110.89","0.002","90","","1052.86","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-ethylanilinium trifluoroacetate","","- C10 H12 F3 N O2 -","- C10 H12 F3 N O2 -","- C40 H48 F12 N4 O8 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","4-Ethylaniliniumtrifluoroacetate","Crystal Structure Report Archive","2008","","","697","","","","","0.71073","MoKα","","0.0686","0.0476","","","0.0996","0.11","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519898","4.7969","0.0001","12.4977","0.0003","14.679","0.0003","90","","98.336","0.001","90","","870.71","0.03","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-iodophenyl)acetamide","","- C8 H8 I N O -","- C8 H8 I N O -","- C32 H32 I4 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-iodophenyl)acetamide","Crystal Structure Report Archive","2008","","","1363","","","","","0.71073","MoKα","","0.0194","0.0184","","","0.0444","0.0449","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519899","10.5564","0.0004","4.9758","0.0002","15.4117","0.0005","90","","97.134","0.002","90","","803.26","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-nitrophenyl)acetamide","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-nitrophenyl)acetamide","Crystal Structure Report Archive","2008","","","1364","","","","","0.71073","MoKα","","0.0556","0.0416","","","0.1016","0.111","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519900","4.7667","0.0001","18.4984","0.0004","18.6318","0.0004","90","","90","","90","","1642.88","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(3-chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","2","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-chlorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1379","","","","","0.71073","MoKα","","0.0401","0.0349","","","0.0843","0.0876","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519901","8.9722","0.0006","6.863","0.0005","15.3273","0.0008","90","","90.092","0.005","90","","943.8","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-1,3-phenylenediacetamide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-1,3-phenylenediacetamide","Crystal Structure Report Archive","2008","","","1380","","","","","0.71073","MoKα","","0.1262","0.0856","","","0.2068","0.2412","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519902","17.5403","0.0005","13.763","0.0003","7.7717","0.0002","90","","101.876","0.001","90","","1835.99","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methyl 4-acetamidobenzoate","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C80 H88 N8 O24 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","Methyl 4-acetamidobenzoate","Crystal Structure Report Archive","2008","","","1395","","","","","0.71073","MoKα","","0.0484","0.038","","","0.0997","0.1063","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519903","14.0052","0.0004","9.3488","0.0003","7.8095","0.0002","90","","90.711","0.002","90","","1022.43","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-isopropylphenyl)acetamide","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-isopropylphenyl)acetamide","Crystal Structure Report Archive","2008","","","1397","","","","","0.71073","MoKα","","0.0476","0.0391","","","0.0936","0.099","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519904","6.1782","0.0003","7.5786","0.0003","8.0969","0.0003","100.526","0.002","91.585","0.002","107.06","0.002","355","0.03","120","2","120","2","","","","","","","","4","P 1","P 1","1","","1,1,3,3-Tetramethylbutylammonium malate","","- C12 H25 N O5 -","- C12 H25 N O5 -","- C12 H25 N O5 -","1","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium malate","Crystal Structure Report Archive","2008","","","560","","","","","0.71073","MoKα","","0.0407","0.0378","","","0.0813","0.0836","","","","","","1.101","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519905","6.5398","0.0002","9.4992","0.0004","10.2235","0.0003","91.506","0.002","91.388","0.002","107.346","0.002","605.68","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 N2 O5 -","- C10 H20 N2 O5 -","- C20 H40 N4 O10 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","C10H20N2O5","Crystal Structure Report Archive","2008","","","564","","","","","0.71073","MoKα","","0.0653","0.0441","","","0.1041","0.1151","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519906","6.1332","0.0004","10.2547","0.0007","13.7444","0.0006","98.274","0.003","93.85","0.004","94.425","0.003","850.21","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3-Tetramethylbutylammonium toluene-4-sulphonate","","- C15 H27 N O3 S -","- C15 H27 N O3 S -","- C30 H54 N2 O6 S2 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium toluene-4-sulphonate","Crystal Structure Report Archive","2008","","","571","","","","","0.71073","MoKα","","0.0932","0.0568","","","0.1115","0.1242","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519907","9.3","0.002","11.925","0.003","15.45","0.004","76.199","0.019","74.813","0.013","89.758","0.017","1602.8","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3-Tetramethylbutylammonium aniline-2-sulphonate","","- C14 H26 N2 O3 S -","- C14 H26 N2 O3 S -","- C56 H104 N8 O12 S4 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium aniline-2-sulphonate","Crystal Structure Report Archive","2008","","","575","","","","","0.71073","MoKα","","0.3758","0.2106","","","0.2966","0.3708","","","","","","1.153","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519908","8.819","0.0019","13.1","0.005","8.3959","0.0019","90","","97.52","0.03","90","","961.6","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-diammoniumpropane DL-tartrate","","- C7 H16 N2 O6 -","- C7 H16 N2 O6 -","- C28 H64 N8 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","1,3-Diammoniumpropane DL-tartrate","Crystal Structure Report Archive","2008","","","585","","","","","0.71073","MoKα","","0.0626","0.0514","","","0.1294","0.1366","","","","","","1.035","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519909","12.7644","0.0002","11.9584","0.0002","29.2566","0.0005","90","","98.801","0.001","90","","4413.2","0.13","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 Au2 Cl4 F6 O P2 -","- C48 H28 Au2 Cl4 F6 O P2 -","- C192 H112 Au8 Cl16 F24 O4 P8 -","4","1","","James, Stuart L.; Lagunas, M. Cristina; Horton, Peter N.; Hursthouse, Michael B.","C48H28Au2Cl4F6OP2","Crystal Structure Report Archive","2008","","","598","","","","","0.71073","MoKα","","0.0462","0.0343","","","0.0854","0.0968","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519910","12.1958","0.0001","13.38","0.0002","14.7281","0.0002","94.551","0.001","95.856","0.001","94.182","0.001","2375.28","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 Au2 Cl10 O P2 -","- C48 H28 Au2 Cl10 O P2 -","- C96 H56 Au4 Cl20 O2 P4 -","2","1","","James, Stuart L.; Lagunas, M. Cristina; Horton, Peter N.; Hursthouse, Michael B.","C48H28Au2Cl10OP2","Crystal Structure Report Archive","2008","","","599","","","","","0.71073","MoKα","","0.0363","0.0277","","","0.0535","0.0566","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519911","5.4658","0.0002","12.1791","0.0004","15.8842","0.0005","106.312","0.002","99.182","0.002","102.509","0.002","962.93","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C46 H52 N4 O4 -","2","1","","Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.","C23H26N2O2","Crystal Structure Report Archive","2008","","","600","","","","","0.71073","MoKα","","0.0896","0.0505","","","0.113","0.1299","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519912","12.1766","0.0001","14.4577","0.0002","15.1547","0.0002","76.818","0.001","79.622","0.001","73.51","0.001","2471.67","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H39 Au2 Cl4 F6 O P2 -","- C54 H39 Au2 Cl4 F6 O P2 -","- C108 H78 Au4 Cl8 F12 O2 P4 -","2","1","","James, Stuart L.; Lagunas, M. Cristina; Horton, Peter N.; Hursthouse, Michael B.","C54H39Au2Cl4F6OP2","Crystal Structure Report Archive","2008","","","601","","","","","0.71073","MoKα","","0.0267","0.0213","","","0.0424","0.0438","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519913","7.6666","0.0004","18.2992","0.0014","8.9265","0.0005","90","","114.37","0.004","90","","1140.74","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl4 N2 O3 Si2 -","- C16 H24 Cl4 N2 O3 Si2 -","- C32 H48 Cl8 N4 O6 Si4 -","2","0.5","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C16H24CL4N2O3Si2","Crystal Structure Report Archive","2008","","","602","","","","","0.71073","MoKα","","0.0978","0.0631","","","0.1456","0.1604","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519914","10.9342","0.0002","8.2762","0.0003","12.6979","0.0004","90","","92.78","0.002","90","","1147.73","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C48 H56 N16 O8 -","4","2","","Dervisi, A.; Horton, Peter N.; Callear, Samantha K.; Hursthouse, Michael B.","C12H14N4O2","Crystal Structure Report Archive","2008","","","603","","","","","0.71073","MoKα","","0.056","0.0454","","","0.103","0.1083","","","","","","1.165","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519915","8.3358","0.0006","26.3096","0.0017","5.6923","0.0003","90","","90","","90","","1248.39","0.14","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H12 S -","- C18 H12 S -","- C72 H48 S4 -","4","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.; Afonina, Irina; Kanibolotsky, Alexander","10,11-Dihydrodiindeno[1,2-b:2',1'-d]thiophene","Crystal Structure Report Archive","2008","","","604","","","","","0.71073","MoKα","","0.078","0.0629","","","0.1449","0.1586","","","","","","1.069","","","","has coordinates","137248","2020-10-21","18:00:00",""
"1519916","6.9169","0.0014","21.853","0.004","6.7218","0.0013","90","","110.79","0.03","90","","949.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl2 N6 O6 Pt -","- C12 H18 Cl2 N6 O6 Pt -","- C24 H36 Cl4 N12 O12 Pt2 -","2","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Maurya, M. R.; Azam, A.","trans-Dichloro-bis(metronidazole)-platinum(II)","Crystal Structure Report Archive","2008","","","605","","","","","0.71073","MoKα","","0.048","0.0433","","","0.1192","0.1258","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519917","6.9056","0.0014","8.6519","0.0017","12.818","0.003","90","","94.41","0.03","90","","763.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Maurya, M. R.; Azam, A.","C6H9N3O3","Crystal Structure Report Archive","2008","","","606","","","","","0.71073","MoKα","","0.0547","0.0397","","","0.101","0.1099","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519918","8.7123","0.0004","14.4807","0.0009","9.3751","0.0005","90","","105.322","0.003","90","","1140.72","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cl3 N O Si -","- C8 H10 Cl3 N O Si -","- C32 H40 Cl12 N4 O4 Si4 -","4","1","","Taylor, P. G.; Callear, Samantha K.","C8H10Cl3SiNO","Crystal Structure Report Archive","2008","","","607","","","","","0.71073","MoKα","","0.0686","0.043","","","0.1022","0.1129","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519919","6.998","0.0003","8.379","0.0003","9.25","0.0003","116.302","0.002","101.825","0.002","91.149","0.002","472.1","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N5 O8 -","- C16 H20 N5 O8 -","- C16 H20 N5 O8 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","tri-imidazolium di-malonate","Crystal Structure Report Archive","2008","","","610","","","","","0.71073","MoKα","","0.0628","0.0447","","","0.1003","0.1109","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519920","9.6365","0.0003","15.3873","0.0005","4.567","0.0001","90","","90","","90","","677.19","0.03","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N,N'-bis(3-Iodophenyl)urea","","- C13 H10 I2 N2 O -","- C13 H10 I2 N2 O -","- C26 H20 I4 N4 O2 -","2","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Iodophenyl)urea","Crystal Structure Report Archive","2008","","","683","","","","","0.71073","MoKα","","0.0183","0.0175","","","0.0395","0.0401","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519921","10.0265","0.0003","4.5597","0.0002","29.0659","0.0011","90","","90","","90","","1328.83","0.09","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-bis(3-Methoxyphenyl)urea","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Methoxyphenyl)urea","Crystal Structure Report Archive","2008","","","684","","","","","0.71073","MoKα","","0.0548","0.0433","","","0.1081","0.1155","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519922","9.5368","0.0002","14.7516","0.0004","4.5621","0.0001","90","","90","","90","","641.81","0.03","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N,N'-bis(3-Bromoyphenyl)urea","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Bromoyphenyl)urea","Crystal Structure Report Archive","2008","","","685","","","","","0.71073","MoKα","","0.0209","0.0198","","","0.0461","0.0468","","","","","","1.106","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519948","6.0084","0.0008","8.1526","0.0013","9.6903","0.0013","90","","90","","90","","474.67","0.12","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Methylimidazole","","- C4 H6 N2 -","- C4 H6 N2 -","- C16 H24 N8 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","2-Methylimidazole - C4H6N2","Crystal Structure Report Archive","2008","","","549","","","","","0.71073","MoKα","","0.0728","0.0534","","","0.1264","0.1332","","","","","","1.196","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519949","8.1972","0.001","14.34","0.002","14.6661","0.0015","90","","90","","90","","1724","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-pyrrolidinone-5-carboxylic acid","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Callear, Samantha K.; Hursthouse, Michael B.","2-Pyrrolidinone-5-carboxylic acid","Crystal Structure Report Archive","2008","","","551","","","","","0.71073","MoKα","","0.1088","0.0518","","","0.0942","0.1118","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519950","6.7452","0.0003","8.7155","0.0005","11.3058","0.0006","101.834","0.003","91.509","0.003","92.367","0.003","649.55","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","fumaric acid & 1-methylpiperazine","","- C22 H36 N4 O12 -","- C22 H36 N4 O12 -","- C22 H36 N4 O12 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","1-Methylpiperazinium fumarate hemifumaric acid","Crystal Structure Report Archive","2008","","","554","","","","","0.71073","MoKα","","0.1131","0.0761","","","0.1351","0.1551","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519951","24.5889","0.0015","4.5855","0.0003","18.7275","0.0014","90","","123.022","0.004","90","","1770.5","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,6-diammoniumhexane pimelate dihydrate","","- C13 H32 N2 O6 -","- C13 H32 N2 O6 -","- C52 H128 N8 O24 -","4","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","1,6-Diammoniumhexane pimelate dihydrate","Crystal Structure Report Archive","2008","","","559","","","","","0.71073","MoKα","","0.1843","0.1036","","","0.1606","0.195","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519952","9.2652","0.0006","10.5292","0.001","10.5973","0.001","105.47","0.05","99.121","0.005","93.957","0.005","977","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-Butylammonium fumarate","","- C8 H15 N O4 -","- C8 H15 N O4 -","- C32 H60 N4 O16 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.","1-Butylammonium fumarate","Crystal Structure Report Archive","2008","","","562","","","","","0.71073","MoKα","","0.141","0.0657","","","0.1484","0.1821","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519953","8.2165","0.0004","7.0534","0.0005","10.0677","0.0007","90","","104.266","0.004","90","","565.47","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylpiperazinium oxalate dihydrate","","- C7 H18 N2 O6 -","- C7 H18 N2 O6 -","- C14 H36 N4 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","1-Methylpiperazine oxalate dihydrate","Crystal Structure Report Archive","2008","","","566","","","","","0.71073","MoKα","","0.0462","0.0344","","","0.0761","0.0788","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519954","4.865","0.002","9.416","0.003","19.127","0.012","98.13","0.03","95.13","0.07","97.98","0.03","853.7","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-Butylammonium DL-tartrate DL-tartaric acid monohydrate","","- C12 H25 N O13 -","- C12 H25 N O13 -","- C24 H50 N2 O26 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","1-Butylammonium DL-tartrate DL-tartaric acid monohydrate","Crystal Structure Report Archive","2008","","","581","","","","","0.71073","MoKα","","0.1343","0.0596","","","0.1102","0.1354","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519955","7.388","0.003","14.227","0.005","21.744","0.008","90","","93.87","0.03","90","","2280.3","1.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Butylammonium DL-tartrate hydrate","","- C8 H19 N O7 -","- C8 H19 N O7 -","- C64 H152 N8 O56 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","1-Butylammonium DL-tartrate monohydrate","Crystal Structure Report Archive","2008","","","582","","","","","0.71073","MoKα","","0.0954","0.0516","","","0.0952","0.1099","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519956","7.4774","0.0006","7.7071","0.0007","16.2943","0.0016","88.321","0.008","86.355","0.006","89.778","0.006","936.72","0.15","120","2","120","2","","","","","","","","4","P 1","P 1","1","","1-Methylpiperazinium di(L-tartrate) dihydrate","","- C13 H28 N2 O14 -","- C13 H28 N2 O14 -","- C26 H56 N4 O28 -","2","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","1-Methylpiperazinium di(L-tartrate) dihydrate","Crystal Structure Report Archive","2008","","","583","","","","","0.71073","MoKα","","0.0511","0.0377","","","0.0747","0.08","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519957","9.4109","0.0012","8.7365","0.0011","12.4478","0.0014","90","","102.099","0.009","90","","1000.7","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Diammoniumpropane L-tartrate","","- C7 H16 N2 O6 -","- C7 H16 N2 O6 -","- C28 H64 N8 O24 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","1,3-Diammoniumpropane L-tartrate","Crystal Structure Report Archive","2008","","","584","","","","","0.71073","MoKα","","0.1122","0.0575","","","0.0972","0.1134","","","","","","1.022","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519958","5.7944","0.0002","7.4316","0.0005","15.9213","0.001","90","","96.289","0.004","90","","681.47","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aniline-4-sulphonic acid","","- C6 H7 N O3 S -","- C6 H7 N O3 S -","- C24 H28 N4 O12 S4 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Aniline-4-sulphonic acid","Crystal Structure Report Archive","2008","","","552","","","","","0.71073","MoKα","","0.0589","0.0434","","","0.0951","0.1022","","","","","","1.101","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519959","5.0003","0.0003","5.9383","0.0002","19.9866","0.001","90","","90","","90","","593.47","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","D-Tartaric Acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C16 H24 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","D-Tartaric Acid - C4H4O4","Crystal Structure Report Archive","2008","","","553","","","","","0.71073","MoKα","","0.0504","0.0406","","","0.0817","0.0873","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519960","13.8261","0.001","11.0607","0.001","9.6798","0.0009","90","","115.478","0.007","90","","1336.3","0.2","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","adipic acid & hexamethyleneimine","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C48 H92 N4 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Hexamethyleneiminium adipate","Crystal Structure Report Archive","2008","","","556","","","","","0.71073","MoKα","","0.0541","0.0438","","","0.0932","0.0993","","","","","","1.108","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519961","5.5528","0.0006","16.018","0.0018","11.7768","0.0019","90","","103.378","0.009","90","","1019.1","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Di-1-phenylethylammonium tartrate","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","1","","Callear, Samantha K.; Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Di-1-phenylethylammonium tartrate","Crystal Structure Report Archive","2008","","","557","","","","","0.71073","MoKα","","0.052","0.0398","","","0.086","0.0922","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519962","7.9081","0.0008","5.687","0.0006","24.117","0.002","90","","98.322","0.007","90","","1073.2","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Imidazolium toluene-4-sulphonate","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C40 H48 N8 O12 S4 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Imidazolium toluene-4-sulphonate","Crystal Structure Report Archive","2008","","","565","","","","","0.71073","MoKα","","0.1235","0.0889","","","0.1577","0.1697","","","","","","1.195","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519963","13.7465","0.0012","8.6976","0.0008","10.329","0.0006","90","","97.361","0.005","90","","1224.77","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethanol-2-ammonium naphthalenesulphonate","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C48 H60 N4 O16 S4 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Ethanol-2-ammonium naphthalenesulphonate","Crystal Structure Report Archive","2008","","","567","","","","","0.71073","MoKα","","0.1242","0.0661","","","0.1096","0.1261","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519964","13.73","0.002","5.8676","0.0006","15.418","0.002","90","","115.604","0.006","90","","1120.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethanol-2-ammonium toluene-4-sulphonate","","- C9 H15 N O4 S -","- C9 H15 N O4 S -","- C36 H60 N4 O16 S4 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Ethanol-2-ammonium toluene-4-sulphonate","Crystal Structure Report Archive","2008","","","570","","","","","0.71073","MoKα","","0.1504","0.1002","","","0.1562","0.1711","","","","","","1.176","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519965","13.3732","0.0016","8.5025","0.0009","27.693","0.003","90","","90","","90","","3148.9","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Di(1-butylammonium) DL-tartrate","","- C12 H28 N2 O6 -","- C12 H28 N2 O6 -","- C96 H224 N16 O48 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Di(1-butylammonium) DL-tartrate","Crystal Structure Report Archive","2008","","","580","","","","","0.71073","MoKα","","0.2187","0.1244","","","0.1932","0.2353","","","","","","1.145","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519966","7.393","0.001","8.215","0.004","23.323","0.016","90.87","0.03","98.16","0.02","99.94","0.03","1380","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Heptamethyleneiminium DL-tartrate monohydrate","","- C11 H23 N O7 -","- C11 H22 N O7 -","- C44 H88 N4 O28 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Heptamethyleneiminium DL-tartrate monohydrate","Crystal Structure Report Archive","2008","","","586","","","","","0.71073","MoKα","","0.1192","0.0588","","","0.1257","0.1525","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519967","8.1431","0.0013","9.4941","0.0019","14.362","0.003","90","","94.415","0.015","90","","1107.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethylammonium DL-tartrate","","- C8 H17 N O6 -","- C8 H17 N O6 -","- C32 H68 N4 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Diethylammonium DL-tartrate","Crystal Structure Report Archive","2008","","","588","","","","","0.71073","MoKα","","0.0678","0.0458","","","0.094","0.1044","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519968","7.2807","0.0004","7.9336","0.0005","9.491","0.0006","67.216","0.002","76.457","0.003","67.849","0.004","465.64","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Methylammonium adipate","","- C7 H15 N O4 -","- C7 H15 N O4 -","- C14 H30 N2 O8 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","Methylammonium adipate","Crystal Structure Report Archive","2008","","","555","","","","","0.71073","MoKα","","0.0746","0.0546","","","0.1077","0.1197","","","","","","1.15","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519969","10.0617","0.0006","10.7224","0.0006","12.7612","0.0008","90.665","0.003","105.835","0.003","99.831","0.003","1302.59","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Pyrrolidinium tri-aniline-2-sulphonate","","- C22 H30 N4 O9 S3 -","- C22 H30 N4 O9 S3 -","- C44 H60 N8 O18 S6 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","Pyrrolidinium aniline-2-sulphonate di(aniline-2-sulphonic acid)","Crystal Structure Report Archive","2008","","","561","","","","","0.71073","MoKα","","0.1441","0.0848","","","0.1455","0.1711","","","","","","1.101","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519970","23.756","0.0012","7.1036","0.0004","5.6944","0.0002","90","","90","","90","","960.95","0.08","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methylammonium toluene-4-sulphonate","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C32 H52 N4 O12 S4 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Methylammonium toluene-4-sulphonate","Crystal Structure Report Archive","2008","","","568","","","","","0.71073","MoKα","","0.0856","0.0516","","","0.0996","0.113","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519971","13.912","0.002","14.2967","0.0007","16.456","0.002","64.325","0.008","78.777","0.009","89.72","0.007","2881.8","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetra(tetraethylbutylammonium bromide) di(DL-tartaric acid) tetrahydrate","","- C20 H50 Br2 N2 O8 -","- C20 H50 Br2 N2 O8 -","- C80 H200 Br8 N8 O32 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Tetra(tetraethylbutylammonium bromide) di(DL-tartaric acid) tetrahydrate","Crystal Structure Report Archive","2008","","","574","","","","","0.71073","MoKα","","0.0859","0.0488","","","0.0976","0.1111","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519972","9.3454","0.0019","9.3736","0.0019","17.624","0.004","78.41","0.03","78.45","0.03","89.86","0.03","1480.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Tetrabutylammonium di(DL-tartrate) dihydrate","","- C24 H51 N O14 -","- C24 H51 N O14 -","- C48 H102 N2 O28 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Tetrabutylammonium di(DL-tartrate) dihydrate","Crystal Structure Report Archive","2008","","","576","","","","","0.71073","MoKα","","0.2391","0.1106","","","0.2479","0.2993","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519973","5.2139","0.0017","11.14","0.007","7.489","0.003","90","","95.32","0.03","90","","433.1","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methylammonium tartrate monohydrate","","- C5 H13 N O7 -","- C5 H13 N O7 -","- C10 H26 N2 O14 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Methylammonium tartrate monohydrate","Crystal Structure Report Archive","2008","","","577","","","","","0.71073","MoKα","","0.0826","0.0558","","","0.1035","0.1137","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519974","20.104","0.004","7.6296","0.0015","15.302","0.003","90","","129.99","0.03","90","","1798.2","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methylammonium DL-tartrate monohydrate","","- C5 H13 N O7 -","- C5 H13 N O7 -","- C40 H104 N8 O56 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Methylammonium DL-tartrate monohydrate","Crystal Structure Report Archive","2008","","","578","","","","","0.71073","MoKα","","0.0595","0.0433","","","0.1027","0.1124","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519975","5.158","0.0005","5.3261","0.0007","7.5218","0.0006","78.735","0.008","83.33","0.01","79.077","0.011","198.31","0.04","120","2","120","2","","","","","","","","4","P 1","P 1","1","","Methylammonium L-tartrate","","- C5 H11 N O6 -","- C5 H11 N O6 -","- C5 H11 N O6 -","1","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Methylammonium L-tartrate","Crystal Structure Report Archive","2008","","","579","","","","","0.71073","MoKα","","0.0381","0.033","","","0.0743","0.0779","","","","","","1.079","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519976","7.267","0.0045","7.3373","0.0036","11.6052","0.0051","106.343","0.045","101.093","0.043","93.796","0.058","577.9","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Pyrrolidinium DL-tartrate dihydrate","","- C8 H19 N O8 -","- C8 H19 N O8 -","- C16 H38 N2 O16 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Pyrrolidinium DL-tartrate dihydrate","Crystal Structure Report Archive","2008","","","587","","","","","0.71073","MoKα","","0.1574","0.0808","","","0.1105","0.136","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519977","14.0939","0.0006","4.9227","0.0002","11.3731","0.0005","90","","97.321","0.003","90","","782.63","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Sodium aniline-2-sulphonate","","- C6 H6 N Na O3 S -","- C6 H6 N Na O3 S -","- C24 H24 N4 Na4 O12 S4 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Sodium aniline-2-sulphonate","Crystal Structure Report Archive","2008","","","592","","","","","0.71073","MoKα","","0.0716","0.052","","","0.1058","0.115","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519978","11.569","0.01","6.307","0.005","16.676","0.013","90","","101.54","0.05","90","","1192.2","1.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Fumaric acid & 1,1,3,3-tetramethylbutylamine","","- C20 H42 N2 O4 -","- C20 H42 N2 O4 -","- C40 H84 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium hemifumarate","Crystal Structure Report Archive","2008","","","502","","","","","0.71073","MoKα","","0.4101","0.1926","","","0.3174","0.4242","","","","","","1.079","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519979","11.8885","0.0005","6.2179","0.0003","21.9459","0.0009","90","","104.852","0.002","90","","1568.08","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","adipic acid & 1,1,3,3-tetramethylbutylamine","","- C14 H29 N O4 -","- C14 H29 N O4 -","- C56 H116 N4 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium hemiadipate hemiadipic acid","Crystal Structure Report Archive","2008","","","510","","","","","0.71073","MoKα","","0.1189","0.0791","","","0.1339","0.1536","","","","","","1.101","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519980","13.558","0.0005","9.191","0.0003","25.277","0.0009","90","","105.232","0.002","90","","3039.15","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Succinic Acid and 1,1,3,3-tetramethylbutylamine","","- C12 H26 N O4.5 -","- C12 H26 N O4.5 -","- C96 H208 N8 O36 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethlybutylammonium succinate hemihydrate","Crystal Structure Report Archive","2008","","","517","","","","","0.71073","MoKα","","0.2073","0.1087","","","0.1563","0.1961","","","","","","1.17","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519981","11.189","0.007","11.208","0.006","21.906","0.013","84.512","0.007","85.814","0.007","89.942","0.007","2727","3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Methylmalonic acid and 1,1,3,3-tetramethylbutylamine","","- C11 H23 N O4 -","- C11 H23 N O4 -","- C88 H184 N8 O32 -","8","4","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium methyloxalate","Crystal Structure Report Archive","2008","","","518","","","","","0.6905","synchrotron","","0.1253","0.0988","","","0.252","0.2717","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519982","6.6154","0.0015","30.477","0.007","15.282","0.003","90","","90.924","0.002","90","","3080.7","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","maleic acid and 1,1,3,3-tetramethylbutylamine","","- C13 H25 N O4 -","- C13 H25 N O4 -","- C104 H200 N8 O32 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium methylmaleate","Crystal Structure Report Archive","2008","","","519","","","","","0.6905","synchrotron","","0.1103","0.0498","","","0.1073","0.1323","","","","","","0.971","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519983","7.8263","0.0015","9.6552","0.0019","17.8962","0.0016","101.635","0.01","94.082","0.011","92.688","0.011","1318.6","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraethylammonium hemitetramethylethylendiammonium ditartrate bromide hydrate","","- C19 H42 Br N2 O13 -","- C19 H42 Br N2 O13 -","- C38 H84 Br2 N4 O26 -","2","1","","Callear, Samantha K.; Threlfall, Terence L.; Hursthouse, Michael B.","Tetraethylammonium hemitetramethylethylendiammonium ditartrate bromide hydrate","Crystal Structure Report Archive","2008","","","558","","","","","0.71073","MoKα","","0.0672","0.0456","","","0.1026","0.1123","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519984","9.2008","0.0003","23.6311","0.001","10.4061","0.0004","90","","95.173","0.003","90","","2253.33","0.15","260","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Toluidinium fumarate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.","Toluidinium fumarate","Crystal Structure Report Archive","2008","","","563","","","","","0.71073","MoKα","","0.0816","0.0429","","","0.0901","0.1067","","","","","","0.983","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519985","5.6889","0.0004","8.9638","0.0004","13.2457","0.0011","90","","97.112","0.003","90","","670.26","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Toluidinium toluene-4-sulphonate","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C28 H34 N2 O6 S2 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","Toluidinium toluene-4-sulphonate","Crystal Structure Report Archive","2008","","","569","","","","","0.71073","MoKα","","0.0831","0.0579","","","0.098","0.1066","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519986","11.6414","0.0017","6.2915","0.0008","22.249","0.003","90","","96.148","0.007","90","","1620.2","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetramethylbutylammonium aniline-4-sulphonate","","- C14 H26 N2 O3 S -","- C14 H26 N2 O3 S -","- C56 H104 N8 O12 S4 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.","Tetramethylbutylammonium aniline-4-sulphonate","Crystal Structure Report Archive","2008","","","572","","","","","0.71073","MoKα","","0.2587","0.1006","","","0.1908","0.2561","","","","","","0.966","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519987","7.0493","0.0004","11.3995","0.0005","16.4313","0.0009","90","","90","","90","","1320.39","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Toluidinium aniline-4-sulphonate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Toluidinium aniline-4-sulphonate","Crystal Structure Report Archive","2008","","","573","","","","","0.71073","MoKα","","0.1076","0.0809","","","0.1607","0.1764","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519988","11.539","0.0009","12.4271","0.0008","9.9748","0.0005","90","","90","","90","","1430.35","0.16","120","2","120","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C5 H10 Cl4 N3 O2 P3 -","- C5 H10 Cl4 N3 O2 P3 -","- C20 H40 Cl16 N12 O8 P12 -","4","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C5H10Cl4N3O2P3","Crystal Structure Report Archive","2008","","","483","","","","","0.71073","MoKα","","0.0261","0.0232","","","0.0663","0.069","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519989","14.8296","0.0009","6.0926","0.0003","15.4113","0.0012","90","","109.5","0.003","90","","1312.56","0.15","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H8 Cl4 N3 O2 P3 -","- C4 H8 Cl4 N3 O2 P3 -","- C16 H32 Cl16 N12 O8 P12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C4H8Cl4N3O2P3","Crystal Structure Report Archive","2008","","","484","","","","","0.71073","MoKα","","0.0961","0.0658","","","0.1561","0.1817","","","","","","1.165","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519990","12.3344","0.0004","13.3334","0.0002","15.9953","0.0004","90","","90","","90","","2630.58","0.11","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H8 Cl4 N3 O2 P3 -","- C4 H8 Cl4 N3 O2 P3 -","- C32 H64 Cl32 N24 O16 P24 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C4H8Cl4N3O2P3","Crystal Structure Report Archive","2008","","","485","","","","","0.71073","MoKα","","0.0489","0.0318","","","0.0726","0.0804","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519991","23.2125","0.0007","9.1684","0.0002","7.6006","0.0002","90","","90","","90","","1617.57","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl4 N3 O2 P3 -","- C9 H10 Cl4 N3 O2 P3 -","- C36 H40 Cl16 N12 O8 P12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C9H10Cl4N3O2P3","Crystal Structure Report Archive","2008","","","486","","","","","0.71073","MoKα","","0.0373","0.0309","","","0.0657","0.0684","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519992","7.5192","0.0003","7.0534","0.0003","18.9307","0.0008","90","","100.552","0.002","90","","987.03","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DL-tartaric acid & 1-methylimidazole","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C32 H48 N8 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","1-Methylimidazolium DL-tartrate","Crystal Structure Report Archive","2008","","","498","","","","","0.71073","MoKα","","0.0717","0.0572","","","0.1066","0.1134","","","","","","1.124","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519993","11.5504","0.0007","22.2264","0.001","6.6309","0.0004","90","","90","","90","","1702.31","0.16","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Pimelic acid & 1,1,3,3-tetramethylbutylamine","","- C15 H31 N O4 -","- C15 H31 N O4 -","- C60 H124 N4 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium pimelate","Crystal Structure Report Archive","2008","","","508","","","","","0.71073","MoKα","","0.0883","0.0635","","","0.1191","0.1345","","","","","","1.111","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519994","7.648","0.0007","11.673","0.0009","11.204","0.0011","90","","93.547","0.004","90","","998.32","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Fumaric acid and 1,2-dimethylimidazole","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,2-Dimethylimidazolium fumarate","Crystal Structure Report Archive","2008","","","512","","","","","0.71073","MoKα","","0.1724","0.102","","","0.1603","0.1889","","","","","","1.167","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519995","11.4966","0.0019","18.702","0.003","3.9535","0.0005","90","","90","","90","","850","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Malonic Acid and 2-Methylimidazole","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","2-Methylimidazolium malonate","Crystal Structure Report Archive","2008","","","515","","","","","0.71073","MoKα","","0.1277","0.0802","","","0.1212","0.1429","","","","","","1.163","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519996","7.6534","0.0008","6.9693","0.0007","10.5603","0.001","90","","104.616","0.005","90","","545.05","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Tartaric Acid and 1,2-dimethylimidazole","","- C9 H14 N2 O6 -","- C9 H14 N2 O6 -","- C18 H28 N4 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,2-Dimethylimidazolium L-tartrate","Crystal Structure Report Archive","2008","","","516","","","","","0.71073","MoKα","","0.0826","0.0518","","","0.1036","0.1177","","","","","","1.079","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519997","4.8629","0.0003","7.9978","0.0005","16.5263","0.0011","96.951","0.001","94.475","0.001","107.384","0.001","604.44","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Adipic Acid and 2-Methylimidazole","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C20 H36 N4 O10 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","2-Methylimidazolium hemiadipate hemiadipic acid hydrate","Crystal Structure Report Archive","2008","","","521","","","","","0.671","synchrotron","","0.0573","0.0516","","","0.1437","0.1504","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1520140","9.6974","0.0001","13.2347","0.0002","17.3564","0.0002","90","","90","","90","","2227.56","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 F6 N2 O P -","- C22 H25 F6 N2 O P -","- C88 H100 F24 N8 O4 P4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Tomkinson, N.","C22H25N2OF6P","Crystal Structure Report Archive","2008","","","478","","","","","0.71073","MoKα","","0.0418","0.0362","","","0.0878","0.0911","","","","","","1.058","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520141","11.4631","0.0001","12.2418","0.0002","17.1604","0.0002","90","","95.555","0.001","90","","2396.79","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl N2 Rh -","- C27 H34 Cl N2 Rh -","- C108 H136 Cl4 N8 Rh4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Dervisi, A.","C27H34ClN2Rh","Crystal Structure Report Archive","2008","","","479","","","","","0.71073","MoKα","","0.0421","0.0387","","","0.1069","0.1103","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520142","8.0334","0.0001","10.0791","0.0002","11.1829","0.0003","97.451","0.001","111.006","0.001","103.992","0.001","796.48","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 Cl4 N3 O2 P3 -","- C7 H14 Cl4 N3 O2 P3 -","- C14 H28 Cl8 N6 O4 P6 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C7H14Cl4N3O2P3","Crystal Structure Report Archive","2008","","","480","","","","","0.71073","MoKα","","0.0318","0.0262","","","0.0648","0.0678","","","","","","1.09","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520143","15.9483","0.0005","12.1905","0.0003","16.5233","0.0004","90","","99.189","0.002","90","","3171.2","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 Cl4 N3 O2 P3 -","- C7 H14 Cl4 N3 O2 P3 -","- C56 H112 Cl32 N24 O16 P24 -","8","2","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C7H14Cl4N3O2P3","Crystal Structure Report Archive","2008","","","481","","","","","0.71073","MoKα","","0.0561","0.0347","","","0.0766","0.0851","","","","","","1.057","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520144","13.0288","0.0004","12.2797","0.0004","18.0331","0.0005","90","","90","","90","","2885.11","0.15","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C3 H4 Br Cl4 N4 O4 P3 -","- C3 H4 Br Cl4 N4 O4 P3 -","- C24 H32 Br8 Cl32 N32 O32 P24 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C3H4BrCl4N4O4P3","Crystal Structure Report Archive","2008","","","487","","","","","0.71073","MoKα","","0.0559","0.0384","","","0.0902","0.0981","","","","","","1.083","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520145","9.7751","0.0003","12.8596","0.0004","16.8243","0.0004","90","","90","","90","","2114.88","0.11","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 B F4 N2 O -","- C22 H25 B F4 N2 O -","- C88 H100 B4 F16 N8 O4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Horton, Peter N.; Tomkinson, N.","C22H25BF4N2O","Crystal Structure Report Archive","2008","","","536","","","","","0.71073","MoKα","","0.0557","0.0418","","","0.095","0.1029","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520146","8.8129","0.0002","8.896","0.0002","10.3618","0.0002","74.043","0.001","78.854","0.001","88.962","0.001","765.8","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H19 B5 N2 O10 -","- C6 H19 B5 N2 O10 -","- C12 H38 B10 N4 O20 -","2","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.","C6 H19 B5 N2 O10","Crystal Structure Report Archive","2008","","","589","","","","","0.71073","MoKα","","0.0358","0.0322","","","0.0817","0.0842","","","","","","1.051","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520147","5.7619","0.0002","6.3796","0.0002","11.6206","0.0005","92.684","0.002","98.06","0.002","114.75","0.002","381.43","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H20 B6 N2 O14 -","- C4 H20 B6 N2 O14 -","- C4 H20 B6 N2 O14 -","1","0.5","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.","C4 H20 B6 N2 O14","Crystal Structure Report Archive","2008","","","590","","","","","0.71073","MoKα","","0.0525","0.0416","","","0.087","0.0941","","","","","","1.094","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520148","9.5497","0.0004","10.3189","0.0004","11.1034","0.0004","104.436","0.002","107.828","0.002","104.17","0.002","945.56","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O5 S -","- C21 H19 N O5 S -","- C42 H38 N2 O10 S2 -","2","1","","McDonald, E.; Horton, Peter N.; Hursthouse, Michael B.","C21H19NO5S","Crystal Structure Report Archive","2008","","","591","","","","","0.71073","MoKα","","0.0626","0.0427","","","0.1008","0.1126","","","","","","1.054","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520149","8.2973","0.0003","13.8488","0.0005","18.2558","0.0005","98.021","0.002","90.671","0.002","91.166","0.002","2076.55","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","2","","McDonald, E.; Horton, Peter N.; Hursthouse, Michael B.","C24H23NO6","Crystal Structure Report Archive","2008","","","593","","","","","0.71073","MoKα","","0.1586","0.1252","","","0.3355","0.3725","","","","","","1.445","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520150","13.877","0.0004","9.5769","0.0004","7.4415","0.0003","90","","103.022","0.002","90","","963.53","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-acetamidophenyl acetate","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","4-acetamidophenyl acetate","Crystal Structure Report Archive","2008","","","1393","","","","","0.71073","MoKα","","0.0869","0.0594","","","0.1149","0.1311","","","","","","1.123","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520151","9.1937","0.0006","13.5734","0.0006","10.5047","0.0005","90","","99.252","0.004","90","","1293.83","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Oxalic acid & 4-methylimidazole hydrate","","- C10 H16 N4 O5 -","- C10 H16 N4 O5 -","- C40 H64 N16 O20 -","4","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","4-Methylimidazolium hemioxalate hydrate","Crystal Structure Report Archive","2008","","","490","","","","","0.71073","MoKα","","0.0664","0.0485","","","0.1051","0.1131","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520152","7.7814","0.0003","22.3584","0.0011","9.1957","0.0005","90","","103.329","0.003","90","","1556.77","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","adipic acid 2-imidazolidinone","","- C12 H22 N4 O6 -","- C12 H22 N4 O6 -","- C48 H88 N16 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Adipic acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","504","","","","","0.71073","MoKα","","0.1552","0.0934","","","0.1574","0.188","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520153","5.5883","0.0002","22.5838","0.0012","7.3581","0.0004","90","","98.578","0.003","90","","918.24","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Maleic Acid & 4-Methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","4-Methylimidazolium maleate","Crystal Structure Report Archive","2008","","","513","","","","","0.71073","MoKα","","0.0854","0.0519","","","0.1248","0.1421","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520154","10.959","0.0001","11.483","0.0002","14.036","0.0002","96.445","0.001","111.731","0.001","97.318","0.001","1602.88","0.04","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H12 Ag F3 N6 O3 S -","- C11 H12 Ag F3 N6 O3 S -","- C44 H48 Ag4 F12 N24 O12 S4 -","4","2","","Coles, Simon J.; Hursthouse, Michael B.; Sengul, Abdurrahaman","Ag(I)-1,2-bis((N-methyl-imidazol-2-yl)methylene)hydrazine triflate","Crystal Structure Report Archive","2008","","","520","","","","","0.71073","MoKα","","0.0434","0.0352","","","0.0832","0.0878","","","","","","1.06","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520155","7.5842","0.0014","8.2124","0.0016","32.363","0.006","90","","90","","90","","2015.7","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Tartaric Acid and 4-Methylimidazole","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C64 H96 N16 O48 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.","4-Methylimidazolium L-tartrate","Crystal Structure Report Archive","2008","","","525","","","","","0.671","synchrotron","","0.0372","0.0316","","","0.0756","0.0785","","","","","","1.108","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520156","8.926","0.0008","15.4665","0.0007","17.789","0.0015","90","","99.9","0.003","90","","2419.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 O3 S -","- C27 H28 N4 O3 S -","- C108 H112 N16 O12 S4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Hemming, Karl","C27H28N4O3S","Crystal Structure Report Archive","2008","","","535","","","","","0.71073","MoKα","","0.1647","0.0749","","","0.1418","0.1743","","","","","","1.01","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520157","26.8727","0.0005","11.8039","0.0002","12.7914","0.0003","90","","100.374","0.001","90","","3991.14","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C192 H184 N8 O40 -","8","2","","McDonald, E.; Horton, Peter N.; Hursthouse, Michael B.","C24H23NO5","Crystal Structure Report Archive","2008","","","594","","","","","0.71073","MoKα","","0.0636","0.043","","","0.0942","0.1028","","","","","","1.037","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520158","21.5955","0.0007","9.5241","0.0003","30.6167","0.001","90","","107.431","0.001","90","","6008","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O6 -","- C23 H20 N2 O6 -","- C276 H240 N24 O72 -","12","3","","McDonald, E.; Horton, Peter N.; Hursthouse, Michael B.","C23H20N2O6","Crystal Structure Report Archive","2008","","","595","","","","","0.71073","MoKα","","0.1262","0.0795","","","0.1414","0.1653","","","","","","1.068","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520159","8.5936","0.0002","7.2391","0.0002","9.1897","0.0003","90","","90","","90","","571.69","0.03","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-chloroaniline","","- C6 H6 Cl N -","- C6 H6 Cl N -","- C24 H24 Cl4 N4 -","4","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","4-Chloroaniline - C6H6ClN","Crystal Structure Report Archive","2008","","","695","","","","","0.71073","MoKα","","0.0254","0.0244","","","0.0647","0.0655","","","","","","1.188","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520160","5.7366","0.0002","8.5492","0.0005","10.6373","0.0006","93.974","0.002","99.351","0.003","95.314","0.003","510.65","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-acetamidobenzoate","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","Ethyl-3-acetamidobenzoate","Crystal Structure Report Archive","2008","","","1374","","","","","0.71073","MoKα","","0.0579","0.0498","","","0.1362","0.1442","","","","","","1.032","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520161","8.6426","0.0005","6.0715","0.0005","18.9467","0.0014","90","","102.765","0.005","90","","969.63","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Glutaric acid and 1,2-diaminoethane","","- C7 H16 N2 O4 -","- C7 H16 N2 O4 -","- C28 H64 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Ethanediammonium glutarate","Crystal Structure Report Archive","2008","","","496","","","","","0.71073","MoKα","","0.133","0.0603","","","0.1202","0.1463","","","","","","1.032","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520162","11.6287","0.0003","5.1904","0.0002","11.9417","0.0003","90","","108.971","0.002","90","","681.62","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","fumaric acid & 2-pyrrolidinone","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Fumaric acid 2-pyrrolidinone","Crystal Structure Report Archive","2008","","","497","","","","","0.71073","MoKα","","0.0717","0.0531","","","0.1011","0.1107","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520163","5.3007","0.0004","19.374","0.002","10.078","0.0009","90","","94.012","0.006","90","","1032.43","0.16","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Glutaric acid & 2-imidazolidinone","","- C8 H14 N2 O5 -","- C8 H14 N2 O5 -","- C32 H56 N8 O20 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Glutaric acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","501","","","","","0.71073","MoKα","","0.0556","0.0418","","","0.1023","0.111","","","","","","1.072","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520164","8.3059","0.0004","10.8568","0.0008","15.6687","0.0011","71.627","0.003","77.606","0.004","81.799","0.004","1305.36","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DL-tartaric acid & 1,1,3,3-tetramethylbutylamine","","- C20 H48 N2 O8 -","- C20 H48 N2 O8 -","- C40 H96 N4 O16 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Coles, Simon J.","Di-1,1,3,3-tetramethylbutylammonium DL-tartrate dihydrate","Crystal Structure Report Archive","2008","","","503","","","","","0.71073","MoKα","","0.2055","0.1202","","","0.2302","0.2818","","","","","","1.085","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520165","5.7652","0.0004","8.2911","0.0005","9.0772","0.0004","87.558","0.004","73.569","0.004","81.599","0.003","411.7","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","succinic acid & 2-aminoethanol","","- C6 H13 N O5 -","- C6 H13 N O5 -","- C12 H26 N2 O10 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","Ethanol-2-ammonium hemisuccinate hemisuccinic acid","Crystal Structure Report Archive","2008","","","506","","","","","0.71073","MoKα","","0.0868","0.0617","","","0.1135","0.1267","","","","","","1.131","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520166","5.0677","0.0003","5.5917","0.0004","7.2473","0.0004","91.984","0.003","103.96","0.004","99.504","0.003","195.97","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","fumaric acid & 1,2-diaminoethane","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Ethanediammonium fumarate","Crystal Structure Report Archive","2008","","","507","","","","","0.71073","MoKα","","0.0403","0.0361","","","0.0906","0.0943","","","","","","1.047","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520167","5.7536","0.0006","14.855","0.002","10.1829","0.0015","90","","100.799","0.009","90","","854.92","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","maleic acid & TEMED","","- C14 H24 N2 O8 -","- C14 H24 N2 O8 -","- C28 H48 N4 O16 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Hemi-tetramethylethylenediammonium maleate","Crystal Structure Report Archive","2008","","","511","","","","","0.71073","MoKα","","0.1739","0.1029","","","0.1553","0.1835","","","","","","1.159","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520168","23.089","0.007","6.403","0.002","18.496","0.006","90","","94.025","0.003","90","","2727.7","1.5","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","Glutaric acid & 1,1,3,3-tetramethylbutylamine","","- C47 H100 N4 O12 -","- C47 H100 N4 O12 -","- C94 H200 N8 O24 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Di-1,1,3,3-tetramethylbutylammonium glutarate hemiglutaric acid","Crystal Structure Report Archive","2008","","","524","","","","","0.6911","synchrotron","","0.0581","0.0498","","","0.1268","0.1331","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520169","5.1062","0.0011","18.198","0.004","10.432","0.002","90","","97.06","0.002","90","","962","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DL-Tartaric acid and 2-imidazolidinone","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","DL-Tartaric acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","526","","","","","0.671","synchrotron","","0.0669","0.044","","","0.1082","0.1189","","","","","","1.101","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520170","7.555","0.0003","10.918","0.0004","8.117","0.0002","90","","111.565","0.002","90","","622.67","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Oxxalic Acid & TEMED","","- C8 H22 N2 O6 -","- C8 H22 N2 O6 -","- C16 H44 N4 O12 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Hemitetramethylethylenediamine hemioxalate hydrate","Crystal Structure Report Archive","2008","","","491","","","","","0.71073","MoKα","","0.0373","0.0323","","","0.0793","0.0821","","","","","","1.081","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520171","10.7285","0.0004","7.7897","0.0003","8.8064","0.0003","90","","106.793","0.002","90","","704.58","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","fumaric acid & morpholine","","- C6 H11 N O3 -","- C6 H11 N O3 -","- C24 H44 N4 O12 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Morpholinium hemifumarate","Crystal Structure Report Archive","2008","","","492","","","","","0.71073","MoKα","","0.0606","0.0407","","","0.102","0.1106","","","","","","1.091","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520172","5.7683","0.0009","13.702","0.003","14.442","0.003","90","","97.458","0.011","90","","1131.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Maleic acid + morpholine","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C40 H68 N4 O20 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Maleic acid + morpholine","Crystal Structure Report Archive","2008","","","500","","","","","0.71073","MoKα","","0.28","0.1456","","","0.2528","0.3147","","","","","","1.121","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520173","31.3779","0.0013","12.3307","0.0006","7.16","0.0003","90","","92.968","0.002","90","","2766.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Maleic acid and 2-imidazolidinone","","- C11 H14 N2 O9 -","- C11 H14 N2 O9 -","- C88 H112 N16 O72 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.","Maleic acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","514","","","","","0.71073","MoKα","","0.1648","0.099","","","0.1681","0.2044","","","","","","1.058","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520174","7.711","0.0002","8.285","0.0004","13.844","0.0005","90","","90","","90","","884.43","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","maleic acid and 1-methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Maleic acid + 1-methylimidazole","Crystal Structure Report Archive","2008","","","523","","","","","0.671","synchrotron","","0.0637","0.0627","","","0.1723","0.1728","","","","","","1.158","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520175","5.388","0.0013","9.921","0.003","18.265","0.005","90","","90","","90","","976.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-tartaric acid and 2-imidazolidinone","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","L-Tartaric acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","527","","","","","0.6895","synchrotron","","0.0322","0.0311","","","0.0814","0.0823","","","","","","1.044","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520176","4.7808","0.0001","11.9344","0.0005","14.6859","0.0005","90","","96.82","0.002","90","","831.99","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-bromophenyl)acetamide","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-bromophenyl)acetamide","Crystal Structure Report Archive","2008","","","539","","","","","0.71073","MoKα","","0.0306","0.0244","","","0.0539","0.0561","","","","","","1.076","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520177","9.2339","0.0003","11.954","0.0004","13.463","0.0004","64.502","0.002","87.652","0.002","76.67","0.002","1302.32","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(4-Methoxyphenyl)urea","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","2","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(4-Methoxyphenyl)urea","Crystal Structure Report Archive","2008","","","680","","","","","0.71073","MoKα","","0.1118","0.0731","","","0.1284","0.1485","","","","","","1.103","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520178","9.0662","0.0003","10.342","0.0004","11.738","0.0004","90","","90","","90","","1100.59","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-bis-Phenylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis-Phenylurea","Crystal Structure Report Archive","2008","","","681","","","","","0.71073","MoKα","","0.0691","0.05","","","0.0976","0.1075","","","","","","1.08","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520179","27.097","0.006","4.5781","0.0007","9.9007","0.0019","90","","96.281","0.008","90","","1220.8","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-bis(4-Chlorophenyl)urea","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","0.5","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(4-Chlorophenyl)urea","Crystal Structure Report Archive","2008","","","682","","","","","0.71073","MoKα","","0.0969","0.0714","","","0.1602","0.1774","","","","","","1.107","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520180","4.7808","0.0001","11.9344","0.0005","14.6859","0.0005","90","","96.82","0.002","90","","831.99","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-bromophenyl)acetamide","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-bromophenyl)acetamide","Crystal Structure Report Archive","2008","","","1361","","","","","0.71073","MoKα","","0.0305","0.0244","","","0.0525","0.0545","","","","","","1.078","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520181","10.5132","0.0004","9.4393","0.0003","15.1635","0.0005","90","","90","","90","","1504.78","0.09","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1362","","","","","0.71073","MoKα","","0.0474","0.0394","","","0.1005","0.1056","","","","","","1.036","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520182","12.1766","0.0004","9.5024","0.0003","12.9638","0.0003","90","","90","","90","","1500","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1373","","","","","0.71073","MoKα","","0.0555","0.0437","","","0.0985","0.1068","","","","","","1.08","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520183","10.5129","0.0004","17.0435","0.0004","4.0675","0.0001","90","","90","","90","","728.8","0.04","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(3-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-hydroxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","1375","","","","","0.71073","MoKα","","0.0322","0.0306","","","0.0694","0.0708","","","","","","1.061","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520184","4.9076","0.0005","9.7504","0.0008","18.6116","0.0011","90","","90","","90","","890.58","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(3-iodophenyl)acetamide","","- C8 H8 I N O -","- C8 H8 I N O -","- C32 H32 I4 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-iodophenyl)acetamide","Crystal Structure Report Archive","2008","","","1376","","","","","0.71073","MoKα","","0.0518","0.0459","","","0.1187","0.1264","","","","","","1.1","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520185","13.2432","0.0003","9.5856","0.0003","7.4783","0.0002","90","","103.345","0.002","90","","923.69","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-ethoxyphenyl)acetamide","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-ethoxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","1394","","","","","0.71073","MoKα","","0.0442","0.0395","","","0.0918","0.0957","","","","","","1.046","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520186","9.3819","0.0002","9.2804","0.0002","20.7436","0.0005","90","","90","","90","","1806.1","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-bromophenyl)propanamide","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C72 H80 Br8 N8 O8 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-bromophenyl)propanamide","Crystal Structure Report Archive","2008","","","537","","","","","0.71073","MoKα","","0.0419","0.0294","","","0.0579","0.0644","","","","","","1.086","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520187","10.5957","0.0003","7.6655","0.0003","9.2544","0.0002","90","","90","","90","","751.65","0.04","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(4-methoxyphenyl)formamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-methoxyphenyl)formamide","Crystal Structure Report Archive","2008","","","540","","","","","0.71073","MoKα","","0.0313","0.0287","","","0.0692","0.0705","","","","","","1.053","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520188","10.5129","0.0004","17.0435","0.0004","4.0675","0.0001","90","","90","","90","","728.8","0.04","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(3-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-hydroxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","542","","","","","0.71073","MoKα","","0.0322","0.0306","","","0.0701","0.0715","","","","","","1.05","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520189","13.2432","0.0003","9.5856","0.0003","7.4783","0.0002","90","","103.345","0.002","90","","923.69","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-ethoxyphenyl)acetamide","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.","N-(4-ethoxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","547","","","","","0.71073","MoKα","","0.0443","0.0396","","","0.0902","0.0939","","","","","","1.058","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520190","5.1717","0.0008","9.7527","0.0013","17.811","0.002","90","","90","","90","","898.4","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[3-(trifluoromethyl)phenyl]acetamide","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-[3-(trifluoromethyl)phenyl]acetamide","Crystal Structure Report Archive","2008","","","1372","","","","","0.71073","MoKα","","0.1571","0.0823","","","0.1398","0.17","","","","","","1.128","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520191","7.5275","0.0003","9.4025","0.0004","9.9908","0.0004","64.266","0.002","68.172","0.002","74.175","0.002","586.06","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DL-tartaric acid & 1,2-dimethylimidazole","","- C9 H14 N2 O6 -","- C9 H14 N2 O6 -","- C18 H28 N4 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,2-Dimethylimidazolium DL-tartrate","Crystal Structure Report Archive","2008","","","460","","","","","0.71073","MoKα","","0.124","0.0963","","","0.2705","0.2858","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520192","10.4056","0.0016","22.888","0.004","4.6392","0.0009","90","","90","","90","","1104.9","0.3","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Glutaric acid & 1,2-dimethylimidazole","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,2-Dimethylimidazolium glutarate","Crystal Structure Report Archive","2008","","","471","","","","","0.71073","MoKα","","0.1527","0.0793","","","0.1898","0.2225","","","","","","1.037","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520193","17.308","0.002","9.0088","0.0014","18.932","0.003","90","","105.305","0.007","90","","2847.3","0.7","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Glutaric Acid & TEMED","","- C16 H32 N2 O8 -","- C16 H32 N2 O8 -","- C96 H192 N12 O48 -","6","1.5","","Callear, Samantha K.; Hursthouse, Michael B.","Tetramethylethylenediammonium hemitetramethylethylenediammonium triglutarate","Crystal Structure Report Archive","2008","","","493","","","","","0.71073","MoKα","","0.376","0.1472","","","0.3334","0.4538","","","","","","1.014","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520194","8.1621","0.0006","9.3259","0.0005","21.3026","0.0012","86.922","0.004","88.863","0.003","87.35","0.004","1617.22","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Fumaric Acid and 2-Aminoethanol","","- C6 H11 N O5 -","- C6 H11 N O5 -","- C48 H88 N8 O40 -","8","4","","Callear, Samantha K.; Hursthouse, Michael B.","Tetra-ethanol-2-ammonium trifumarate fumaric acid","Crystal Structure Report Archive","2008","","","494","","","","","0.71073","MoKα","","0.2172","0.1472","","","0.2733","0.341","","","","","","1.191","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520195","8.322","0.004","11.203","0.005","11.915","0.005","90","","97.79","0.03","90","","1100.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Oxalic acid & 2-imidazolidinone","","- C8 H14 N4 O6 -","- C8 H14 N4 O6 -","- C32 H56 N16 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Oxalic acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","495","","","","","0.71073","MoKα","","0.2012","0.1421","","","0.2116","0.2343","","","","","","1.243","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520196","6.8156","0.0006","12.7537","0.0012","14.1899","0.0011","90","","90","","90","","1233.44","0.19","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","Pimelic acid & 2-imidazolidinone","","- C5 H9 N O2.5 -","- C5 H9 N O2.5 -","- C40 H72 N8 O20 -","8","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","pimelic acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","499","","","","","0.71073","MoKα","","0.0896","0.0591","","","0.1118","0.1285","","","","","","1.17","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520197","9.9136","0.0003","12.5634","0.0003","12.8377","0.0003","109.77","0.001","111.154","0.001","101.671","0.001","1303.93","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl2 N6 O Pt S -","- C26 H22 Cl2 N6 O Pt S -","- C52 H44 Cl4 N12 O2 Pt2 S2 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Sengul, Abdurrahaman","Platinum 3,3'-bis-(benzimidazol-2-yl)-2,2'-bipyridine dichloride.DMSO","Crystal Structure Report Archive","2008","","","509","","","","","0.71073","MoKα","","0.0272","0.0255","","","0.0641","0.0653","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520198","5.5097","0.0015","9.529","0.002","13.03","0.003","104.839","0.003","91.938","0.003","95.093","0.003","657.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","succinic acid & 2-imidazolidinone","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C20 H36 N8 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","Succinic acid di-2-imidazolidinone","Crystal Structure Report Archive","2008","","","522","","","","","0.6905","synchrotron","","0.0626","0.0507","","","0.1386","0.1486","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520199","4.6154","0.0002","5.3698","0.0002","31.2699","0.0013","90","","91.978","0.002","90","","774.52","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-methylphenyl)urea","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C32 H40 N8 O4 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-methylphenyl)urea","Crystal Structure Report Archive","2008","","","538","","","","","0.71073","MoKα","","0.0721","0.0529","","","0.1433","0.1632","","","","","","1.064","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520203","8.9411","0.0003","11.0719","0.0003","10.9373","0.0004","90","","99.81","0.002","90","","1066.91","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 Cl N O2 S -","- C22 H28 Cl N O2 S -","- C44 H56 Cl2 N2 O4 S2 -","2","1","","Dobbs, Adrian; Stephenson, Richard; Hursthouse, Michael B.","C22H28Cl1N1O2S1","Crystal Structure Report Archive","2008","","","443","","","","","0.71073","MoKα","","0.047","0.0404","","","0.1043","0.1078","","","","","","1.121","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520204","14.7295","0.0004","14.7023","0.0004","26.7711","0.0008","90","","90","","90","","5797.5","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C288 H224 N64 O16 -","16","2","","Collins, Ian; Smyth, Lynette A.; Horton, Peter N.; Hursthouse, Michael B.","3-Amino-2,6-diphenyl-2,5-dihydro-pyrazolo[4,3-c]pyridin-4-one","Crystal Structure Report Archive","2008","","","444","","","","","0.71073","MoKα","","0.0912","0.0654","","","0.1202","0.1346","","","","","","1.107","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520205","14.7643","0.0007","13.349","0.0006","10.3953","0.0003","90","","90","","90","","2048.8","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H28 Cl N O2 S -","- C22 H28 Cl N O2 S -","- C88 H112 Cl4 N4 O8 S4 -","4","1","","Dobbs, Adrian; Stephenson, Richard; Hursthouse, Michael B.","C22H28ClNO2S","Crystal Structure Report Archive","2008","","","445","","","","","0.71073","MoKα","","0.0832","0.0504","","","0.1017","0.1143","","","","","","1.052","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520206","13.9991","0.0002","18.4241","0.0002","11.2873","0.0001","90","","99.134","0.001","90","","2874.31","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 O10.25 P S2 -","- C27 H35 O10.17 P S2 -","- C108 H140 O40.68 P4 S8 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Bricklebank, Neil","C27H35O10.25PS2","Crystal Structure Report Archive","2008","","","450","","","","","0.71073","MoKα","","0.0467","0.0358","","","0.0839","0.0894","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520207","7.5625","0.0018","8.34","0.003","9.193","0.006","66.47","0.03","71.9","0.02","73.03","0.02","495.8","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DL-Tartaric acid & 2-Methylimidazole","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","2-Methylimidazolium DL-tartrate","Crystal Structure Report Archive","2008","","","454","","","","","0.71073","MoKα","","0.1256","0.0635","","","0.1086","0.1312","","","","","","1.021","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520208","7.3683","0.0004","9.0497","0.0003","10.7486","0.0005","76.546","0.003","80.396","0.002","76.933","0.003","674.05","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Suberic acid & 2-methylimidazole","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C24 H40 N4 O8 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","2-Methylimidazolium suberate","Crystal Structure Report Archive","2008","","","458","","","","","0.71073","MoKα","","0.1074","0.0574","","","0.1098","0.1281","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520209","20.5769","0.0012","7.3521","0.0004","14.0383","0.0008","90","","90","","90","","2123.8","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Succinic acid & 1,2-dimethylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C72 H112 N16 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,2-Dimethylimidazolium succinate","Crystal Structure Report Archive","2008","","","461","","","","","0.71073","MoKα","","0.1161","0.0685","","","0.1383","0.1561","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520210","8.1472","0.0007","6.4965","0.0005","9.0107","0.0005","90","","97.401","0.004","90","","472.95","0.06","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Succinic Acid and 2-Methylimidazole","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C16 H24 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","2-Methylimidazolium succinate","Crystal Structure Report Archive","2008","","","462","","","","","0.71073","MoKα","","0.0687","0.048","","","0.099","0.1076","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520211","6.4624","0.0004","18.8186","0.001","7.1493","0.0005","90","","98.878","0.004","90","","859.03","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyloxalate & 1-methylimidazolium","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","1-Methylimidazolium methyloxalate","Crystal Structure Report Archive","2008","","","463","","","","","0.71073","MoKα","","0.1145","0.0609","","","0.1067","0.123","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520212","5.38","0.0003","8.1542","0.0006","12.6592","0.001","78.35","0.004","82.962","0.004","84.496","0.004","538.37","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Glutaric acid & 2-methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C18 H28 N4 O8 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","2-Methylimidazolium glutarate","Crystal Structure Report Archive","2008","","","472","","","","","0.71073","MoKα","","0.1675","0.0941","","","0.1477","0.1758","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520231","5.0214","0.0003","6.8411","0.0005","12.2219","0.001","89.465","0.004","80.477","0.004","79.234","0.004","406.67","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4-acetamidobenzoic acid","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","4-acetamidobenzoic acid","Crystal Structure Report Archive","2008","","","1390","","","","","0.71073","MoKα","","0.0995","0.064","","","0.1275","0.1473","","","","","","1.09","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520232","7.376","0.0015","7.624","0.003","10.211","0.003","88.86","0.03","71.015","0.015","82.34","0.02","538","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DL-Tartaric acid & 4-Methylimidazole hydrate","","- C8 H14 N2 O7 -","- C8 H14 N2 O7 -","- C16 H28 N4 O14 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","4-Methylimidazolium DL-tartrate monohydrate","Crystal Structure Report Archive","2008","","","105","","","","","0.71073","MoKα","","0.1397","0.067","","","0.1204","0.1429","","","","","","1.071","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520233","8.8691","0.0007","13.2988","0.0017","12.125","0.0014","90","","109.5","0.007","90","","1348.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Suberic acid & 4-methylimidazole","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","4-Methylimidazolium suberate","Crystal Structure Report Archive","2008","","","459","","","","","0.71073","MoKα","","0.2045","0.1082","","","0.1252","0.1494","","","","","","1.094","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520234","10.9078","0.0005","7.6984","0.0002","8.6167","0.0003","90","","105.403","0.002","90","","697.58","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Succinic acid & morpholine","","- C12 H24 N2 O6 -","- C12 H24 N2 O6 -","- C24 H48 N4 O12 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Dimorpholinium succinate","Crystal Structure Report Archive","2008","","","464","","","","","0.71073","MoKα","","0.0639","0.0443","","","0.1078","0.1205","","","","","","1.036","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520235","5.8219","0.0003","7.4643","0.0006","9.8058","0.0007","79.046","0.003","77.621","0.004","81.676","0.004","406.22","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Adipic acid & morpholine","","- C14 H28 N2 O6 -","- C14 H28 N2 O6 -","- C14 H28 N2 O6 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Dimorpholinium adipate","Crystal Structure Report Archive","2008","","","465","","","","","0.71073","MoKα","","0.1755","0.1403","","","0.3577","0.3773","","","","","","1.118","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520236","7.536","0.0004","14.218","0.0008","9.716","0.0006","90","","96.571","0.003","90","","1034.2","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Glutaric Acid & 4-Methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.","4-Methylimidazolium glutarate","Crystal Structure Report Archive","2008","","","467","","","","","0.71073","MoKα","","0.098","0.0559","","","0.0977","0.1108","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520237","16.6403","0.001","14.4382","0.0005","7.6872","0.0005","90","","117.299","0.002","90","","1641.2","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid & 2-imidazolidinone","","- C12 H22 N6 O7 -","- C12 H22 N6 O7 -","- C48 H88 N24 O28 -","4","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Di-malonic Acid + Tri-2-imidazolidinone","Crystal Structure Report Archive","2008","","","469","","","","","0.71073","MoKα","","0.1392","0.1115","","","0.2629","0.2739","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520238","8.1285","0.0006","9.1297","0.0007","13.7387","0.0011","89.781","0.004","89.17","0.004","79.782","0.005","1003.28","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Glutaric Acid and 1-Methylimidazole","","- C18 H28 N4 O8 -","- C18 H28 N4 O8 -","- C36 H56 N8 O16 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","Di-1-methylimidazolium monoglutarate glutaric acid","Crystal Structure Report Archive","2008","","","470","","","","","0.71073","MoKα","","0.1929","0.1381","","","0.3124","0.3389","","","","","","1.094","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520239","3.9015","0.0002","17.3293","0.001","13.8628","0.0007","90","","96.299","0.003","90","","931.61","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Succinic acid & 4-methylimidazole","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","4-Methylimidazolium hemisuccinate hemisuccinic acid","Crystal Structure Report Archive","2008","","","473","","","","","0.71073","MoKα","","0.0744","0.049","","","0.1057","0.1169","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520240","5.0214","0.0003","6.8411","0.0005","12.2219","0.001","89.465","0.004","80.477","0.004","79.234","0.004","406.67","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4-(acetylamino)benzoic acid","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","4-(acetylamino)benzoic acid","Crystal Structure Report Archive","2008","","","545","","","","","0.71073","MoKα","","0.0999","0.0644","","","0.1258","0.1454","","","","","","1.094","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520241","9.7285","0.0005","13.3392","0.0007","12.9849","0.0005","90","","103.791","0.003","90","","1636.48","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-nitrophenyl)acetamide","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C64 H64 N16 O24 -","8","4","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-nitrophenyl)acetamide","Crystal Structure Report Archive","2008","","","1371","","","","","0.71073","MoKα","","0.0647","0.0499","","","0.1194","0.1273","","","","","","1.071","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520242","9.6978","0.0004","12.3874","0.0004","6.5757","0.0002","90","","90","","90","","789.94","0.05","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(4-chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-chlorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1387","","","","","0.71073","MoKα","","0.0407","0.0315","","","0.0721","0.0771","","","","","","1.083","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520243","11.9225","0.0007","7.2026","0.0002","17.4291","0.001","90","","90","","90","","1496.69","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-aminophenyl)acetamide","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-aminophenyl)acetamide","Crystal Structure Report Archive","2008","","","1391","","","","","0.71073","MoKα","","0.0888","0.0526","","","0.1077","0.1238","","","","","","1.05","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520244","6.1179","0.0014","8.672","0.002","15.182","0.008","90.92","0.03","91.41","0.03","99.79","0.02","793.3","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DL-Tartaric acid & TEMED trihydrate","","- C10 H28 N2 O9 -","- C10 H28 N2 O9 -","- C20 H56 N4 O18 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","DL-tartaric acid + TEMED","Crystal Structure Report Archive","2008","","","452","","","","","0.71073","MoKα","","0.0635","0.0436","","","0.1017","0.1122","","","","","","1.032","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520245","25.065","0.005","4.9767","0.001","19.142","0.004","90","","129.42","0.03","90","","1844.6","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","DL-Tartaric Acid & imidazole","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C56 H80 N16 O48 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.","Imidazolium DL-Tartrate","Crystal Structure Report Archive","2008","","","453","","","","","0.71073","MoKα","","0.2794","0.0993","","","0.1418","0.1972","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520246","7.6152","0.0007","8.2002","0.0011","10.1113","0.0012","98.68","0.01","106.417","0.008","105.156","0.008","567.11","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DL-Tartaric Acid & Morpholine","","- C8 H17 N O8 -","- C8 H17 N O8 -","- C16 H34 N2 O16 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","DL-Tartaric Acid + Morpholine monohydrate","Crystal Structure Report Archive","2008","","","455","","","","","0.71073","MoKα","","0.0474","0.0358","","","0.0869","0.0939","","","","","","1.053","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520247","8.7148","0.0003","11.4826","0.0003","16.9691","0.0005","81.721","0.002","81.814","0.002","77.987","0.002","1632.45","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Suberic acid & imidazole","","- C30 H50 N4 O12 -","- C30 H50 N4 O12 -","- C60 H100 N8 O24 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.","Imidazolium suberate bis-suberic acid","Crystal Structure Report Archive","2008","","","457","","","","","0.71073","MoKα","","0.0908","0.0523","","","0.1232","0.1421","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520248","9.7285","0.0005","13.3392","0.0007","12.9849","0.0005","90","","103.791","0.003","90","","1636.48","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-nitrophenyl)acetamide","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C64 H64 N16 O24 -","8","4","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-Nitrophenyl)acetamide","Crystal Structure Report Archive","2008","","","541","","","","","0.71073","MoKα","","0.0649","0.0503","","","0.121","0.1287","","","","","","1.068","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520249","11.9225","0.0007","7.2026","0.0002","17.4291","0.001","90","","90","","90","","1496.69","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-aminophenyl)acetamide","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-aminophenyl)acetamide","Crystal Structure Report Archive","2008","","","546","","","","","0.71073","MoKα","","0.0871","0.0512","","","0.1061","0.1223","","","","","","1.035","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520250","4.6142","0.0002","17.0417","0.0009","9.5621","0.0006","90","","93.378","0.003","90","","750.6","0.07","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","548","","","","","0.71073","MoKα","","0.0367","0.0347","","","0.0758","0.0771","","","","","","1.096","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520251","9.663","0.0003","9.2888","0.0002","19.8221","0.0005","90","","90","","90","","1779.19","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-[4-(trifluoromethyl)phenyl]acetamide","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C72 H64 F24 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-[4-(trifluoromethyl)phenyl]acetamide","Crystal Structure Report Archive","2008","","","1384","","","","","0.71073","MoKα","","0.0728","0.0551","","","0.1389","0.1479","","","","","","1.117","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520252","16.4165","0.0006","9.6159","0.0003","7.1985","0.0003","90","","97.315","0.002","90","","1127.1","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-tert-butylphenyl)acetamide","","- C12 H17 N O -","- C12 H17 N O -","- C48 H68 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-tert-butylphenyl)acetamide","Crystal Structure Report Archive","2008","","","1385","","","","","0.71073","MoKα","","0.0956","0.0663","","","0.1326","0.1512","","","","","","1.072","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520253","4.6142","0.0002","17.0417","0.0009","9.5621","0.0006","90","","93.378","0.003","90","","750.6","0.07","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1386","","","","","0.71073","MoKα","","0.0367","0.0347","","","0.0759","0.0773","","","","","","1.096","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520254","9.5782","0.0003","10.3047","0.0003","9.4258","0.0002","90","","109.285","0.002","90","","878.13","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-iodophenyl)acetamide","","- C8 H8 I N O -","- C8 H8 I N O -","- C32 H32 I4 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-iodophenyl)acetamide","Crystal Structure Report Archive","2008","","","1388","","","","","0.71073","MoKα","","0.0215","0.0197","","","0.0515","0.0527","","","","","","1.053","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520255","11.6779","0.0009","9.4902","0.0007","7.4186","0.0006","90","","106.515","0.005","90","","788.25","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-methylphenyl)acetamide","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-methylphenyl)acetamide","Crystal Structure Report Archive","2008","","","1389","","","","","0.71073","MoKα","","0.0658","0.0467","","","0.1075","0.1176","","","","","","1.033","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520256","9.1172","0.0002","7.495","0.0002","24.6628","0.0005","90","","90","","90","","1685.29","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-methoxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","1392","","","","","0.71073","MoKα","","0.0459","0.0384","","","0.099","0.1044","","","","","","1.06","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520257","14.7118","0.0003","11.4599","0.0003","9.8194","0.0003","90","","103.911","0.002","90","","1606.95","0.07","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H20 B5 N O11 -","- C7 H20 B5 N O11 -","- C28 H80 B20 N4 O44 -","4","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.","C7H20B5NO11","Crystal Structure Report Archive","2008","","","428","","","","","0.71073","MoKα","","0.0721","0.0599","","","0.1566","0.1702","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520258","5.749","0.003","6.541","0.003","9.903","0.005","80.4","0.02","78.7","0.02","71.71","0.03","344.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Succinic Acid & 2-pyrrolidinone","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","Succinic Acid Di-2-pyrrolidinone","Crystal Structure Report Archive","2008","","","466","","","","","0.71073","MoKα","","0.1812","0.0722","","","0.1665","0.2185","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520259","9.1172","0.0002","7.495","0.0002","24.6628","0.0005","90","","90","","90","","1685.29","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.","N-(4-methoxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","543","","","","","0.71073","MoKα","","0.0459","0.0383","","","0.0994","0.1049","","","","","","1.057","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520260","11.6779","0.0009","9.4902","0.0007","7.4186","0.0006","90","","106.515","0.005","90","","788.25","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-methylphenyl)acetamide","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.","N-(4-methylphenyl)acetamide","Crystal Structure Report Archive","2008","","","544","","","","","0.71073","MoKα","","0.0655","0.0464","","","0.1056","0.1155","","","","","","1.036","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520264","12.5009","0.0001","12.5009","0.0001","6.9133","0.0001","90","","90","","90","","1080.36","0.02","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C20 H20 Cu F6 N4 P -","- C20 H20 Cu F6 N4 P -","- C40 H40 Cu2 F12 N8 P2 -","2","0.25","","Coles, Simon J.; Hursthouse, Michael B.; Sengul, Abdurrahaman; Altin, Safinaz; Kurt, Ozgur","tetrakis(Pyridine)-copper(i), hexafluorophosphate","Crystal Structure Report Archive","2008","","","385","","","","","0.71073","MoKα","","0.0263","0.025","","","0.0636","0.0643","","","","","","1.116","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520265","15.8475","0.0014","15.8514","0.0014","6.9724","0.0004","90","","98.498","0.006","90","","1732.3","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 S3 -","- C22 H12 S3 -","- C88 H48 S12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","C22H12S3","Crystal Structure Report Archive","2008","","","407","","","","","0.71073","MoKα","","0.1583","0.1079","","","0.2576","0.2819","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520266","8.0877","0.0002","8.4452","0.0002","9.3069","0.0002","104.517","0.001","101.38","0.001","114.951","0.001","523.64","0.02","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Cl6 N6 O4 P6 -","- C6 H12 Cl6 N6 O4 P6 -","- C6 H12 Cl6 N6 O4 P6 -","1","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, Adem","C6H12Cl6N6O4P6","Crystal Structure Report Archive","2008","","","408","","","","","0.71073","MoKα","","0.0312","0.0292","","","0.0777","0.0786","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520267","27.4599","0.0012","5.6654","0.0002","11.4275","0.0005","90","","92.25","0.002","90","","1776.42","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F N2 O3 -","- C21 H20 F N2 O3 -","- C84 H80 F4 N8 O12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Blagden, Nick; Berry, David","C21H20FN2O3","Crystal Structure Report Archive","2008","","","409","","","","","0.71073","MoKα","","0.1033","0.0543","","","0.1219","0.1448","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520268","6.3073","0.0001","17.6438","0.0004","9.5481","0.0002","90","","96.552","0.001","90","","1055.62","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N5 O4 P3 -","- C18 H24 N5 O4 P3 -","- C36 H48 N10 O8 P6 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Yesilot, Serkan","C18H24N5O4P3","Crystal Structure Report Archive","2008","","","410","","","","","0.71073","MoKα","","0.0294","0.0282","","","0.0645","0.0654","","","","","","1.01","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520269","7.9919","0.0004","9.1538","0.0005","17.7888","0.0007","90","","98.16","0.003","90","","1288.19","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N2 S4 -","- C28 H32 N2 S4 -","- C56 H64 N4 S8 -","2","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","C28H32N2S4","Crystal Structure Report Archive","2008","","","411","","","","","0.71073","MoKα","","0.1282","0.0916","","","0.1675","0.1853","","","","","","1.185","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520270","3.9246","0.0001","16.0687","0.0005","17.4699","0.0004","90","","90.825","0.002","90","","1101.59","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 S8 -","- C26 H12 S8 -","- C52 H24 S16 -","2","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","C26H12S8","Crystal Structure Report Archive","2008","","","412","","","","","0.71073","MoKα","","0.0464","0.0356","","","0.0854","0.0924","","","","","","1.049","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520271","32.138","0.002","8.5084","0.0006","11.6735","0.0005","90","","110.275","0.004","90","","2994.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H29 Cl2 N9 O7 P6 -","- C14 H29 Cl2 N9 O7 P6 -","- C56 H116 Cl8 N36 O28 P24 -","4","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, Adem","C14H29Cl2N9O7P6","Crystal Structure Report Archive","2008","","","413","","","","","0.71073","MoKα","","0.2595","0.1412","","","0.2154","0.259","","","","","","1.053","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520272","18.3051","0.0005","8.139","0.0001","39.2691","0.0009","90","","101.662","0.001","90","","5729.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H13 Cl3 N5 O P3 -","- C5 H13 Cl3 N5 O P3 -","- C80 H208 Cl48 N80 O16 P48 -","16","4","","Hursthouse, Michael B.; Coles, Simon J.; Davies, David B.; Kilic, Adem","C5H13Cl3N5OP3","Crystal Structure Report Archive","2008","","","414","","","","","0.71073","MoKα","","0.1003","0.0542","","","0.1145","0.1337","","","","","","1.076","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520273","8.4959","0.0001","19.0544","0.0002","13.9272","0.0002","90","","104.775","0.001","90","","2180.05","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 Ag Br N2 -","- C23 H30 Ag Br N2 -","- C92 H120 Ag4 Br4 N8 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Dervisi, A.","C23H30AgBrN2","Crystal Structure Report Archive","2008","","","415","","","","","0.71073","MoKα","","0.0807","0.0749","","","0.2259","0.2322","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520274","7.4019","0.0002","15.8155","0.0003","26.8034","0.0004","90","","90","","90","","3137.73","0.11","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C136 H168 N8 O32 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Motherwell, W.","C17H21NO4","Crystal Structure Report Archive","2008","","","416","","","","","0.71073","MoKα","","0.0375","0.0339","","","0.0763","0.0784","","","","","","1.039","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520275","9.6107","0.0003","13.1064","0.0003","13.7556","0.0004","95.945","0.002","108.667","0.001","103.67","0.002","1564.51","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H36.5 Cl0.5 N10 O8 P6 -","- C17.33 H36.66 Cl0.66 N10 O8 P6 -","- C34.66 H73.32 Cl1.32 N20 O16 P12 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, Adem","C17.50H36.50Cl0.50N10O8P6","Crystal Structure Report Archive","2008","","","417","","","","","0.71073","MoKα","","0.1308","0.1088","","","0.2639","0.2806","","","","","","1.084","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520276","7.7257","0.0002","21.1223","0.0007","11.5315","0.0002","90","","96.654","0.002","90","","1869.09","0.09","293","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N O2 S -","- C20 H29 N O2 S -","- C80 H116 N4 O8 S4 -","4","1","","Dobbs, Adrian; Stephenson, Richard; Hursthouse, Michael B.","C20H29NO2S","Crystal Structure Report Archive","2008","","","418","","","","","0.71073","MoKα","","0.095","0.0678","","","0.1531","0.1737","","","","","","0.965","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520277","9.7058","0.0003","14.181","0.0005","11.9258","0.0004","90","","91.715","0.002","90","","1640.71","0.09","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Tomkinson, N.","C22H16O4","Crystal Structure Report Archive","2008","","","420","","","","","0.71073","MoKα","","0.0623","0.0507","","","0.1005","0.1073","","","","","","1.112","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520278","20.7923","0.0009","10.7114","0.0005","8.4013","0.0003","90","","94.923","0.003","90","","1864.19","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 F9 N2 P -","- C16 H20 F9 N2 P -","- C64 H80 F36 N8 P4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Tomkinson, N.","C16H20F9N2P","Crystal Structure Report Archive","2008","","","421","","","","","0.71073","MoKα","","0.069","0.052","","","0.1308","0.1421","","","","","","1.025","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520279","5.332","0.0004","12.9425","0.0009","20.2396","0.0015","71.806","0.003","89.317","0.003","78.634","0.004","1299.02","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N2 S4 -","- C28 H32 N2 S4 -","- C56 H64 N4 S8 -","2","1","","Hursthouse, Michael B.; Coles, Simon J.; Skabara, Peter J.","C28H32N2S4","Crystal Structure Report Archive","2008","","","422","","","","","0.71073","MoKα","","0.0902","0.0727","","","0.1692","0.1825","","","","","","1.076","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520280","9.7683","0.0002","13.0654","0.0002","16.8119","0.0004","90","","90","","90","","2145.65","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Cl N2 O5 -","- C22 H25 Cl N2 O5 -","- C88 H100 Cl4 N8 O20 -","4","1","","Hursthouse, Michael B.; Coles, Simon J.; Tomkinson, N.","C22H25ClN2O5","Crystal Structure Report Archive","2008","","","423","","","","","0.71073","MoKα","","0.049","0.0418","","","0.1007","0.1051","","","","","","1.038","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520281","9.6872","0.0005","6.5461","0.0003","10.8209","0.0005","90","","102.698","0.003","90","","669.41","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Oxalic acid & morpholine","","- C10 H20 N2 O6 -","- C10 H20 N2 O6 -","- C20 H40 N4 O12 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","oxalic acid+morpholine","Crystal Structure Report Archive","2008","","","440","","","","","0.71073","MoKα","","0.0332","0.028","","","0.0683","0.0714","","","","","","1.094","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520282","6.0028","0.0002","21.513","0.0012","11.3488","0.0005","90","","93.01","0.003","90","","1463.54","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C76 H68 Fe4 N4 O4 -","4","1","","Tizzard, Graham J.; Hursthouse, Michael B.","C19H17FeNO","Crystal Structure Report Archive","2009","","","1041","","","","","0.71073","MoKα","","0.0713","0.0505","","","0.1146","0.1253","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520283","9.8278","0.0004","9.4884","0.0005","12.0388","0.0005","90","","94.74","0.003","90","","1118.78","0.09","120","2","120","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C25 H23 B Br O2 P -","- C25 H23 B Br O2 P -","- C50 H46 B2 Br2 O4 P2 -","2","1","","Tizzard, Graham J.; Hursthouse, Michael B.; Spencer, John","C31H33O2BBrP","Crystal Structure Report Archive","2009","","","1047","","","","","0.71073","MoKα","","0.0565","0.0428","","","0.0799","0.0846","","","","","","1.044","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520284","9.046","0.0003","9.0502","0.0003","9.8341","0.0003","108.166","0.002","110.482","0.002","91.492","0.002","708.3","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 La2 O14 P2 -","- C4 H10 La2 O14 P2 -","- C8 H20 La4 O28 P4 -","2","1","","Fogg, Andrew; Nicholls, Jennifer; Lamond, Steven J.; Hursthouse, Michael B.","C4H10La2O14P2","Crystal Structure Report Archive","2009","","","1075","","","","","0.71073","MoKα","","0.0284","0.0256","","","0.062","0.0638","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520285","8.3907","0.0005","8.7207","0.0004","15.3024","0.0009","87.41","0.004","75.837","0.003","62.831","0.003","963.02","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","- C44 H36 N8 O8 -","2","1","","Tizzard, Graham J.; Hursthouse, Michael B.; Spencer, John","C22H18N4O4","Crystal Structure Report Archive","2009","","","1227","","","","","0.71073","MoKα","","0.1629","0.1043","","","0.195","0.2259","","","","","","1.147","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520286","5.7992","0.0006","12.0419","0.001","20.795","0.002","90","","90","","90","","1452.2","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Collins, Ian; Welford, Amanda; Tizzard, Graham J.; Hursthouse, Michael B.; Lamond, Steven J.","C17H24O3","Crystal Structure Report Archive","2009","","","1228","","","","","0.71073","MoKα","","0.1277","0.1016","","","0.2538","0.267","","","","","","1.15","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520287","12.0452","0.0003","11.8133","0.0003","8.0824","0.0002","90","","96.646","0.002","90","","1142.35","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br2 N -","- C11 H11 Br2 N -","- C44 H44 Br8 N4 -","4","1","","Holliman, Peter J.; Tizzard, Graham J.; Hursthouse, Michael B.; Lamond, Steven J.","5,7-dibromo-2,3,3-trimethyl-3H-indole","Crystal Structure Report Archive","2009","","","1229","","","","","0.71073","MoKα","","0.0479","0.0417","","","0.116","0.118","","","","","","1.305","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520288","8.9198","0.0003","8.9196","0.0002","9.7074","0.0003","107.751","0.002","110.165","0.001","91.715","0.002","682.55","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Nd2 O14 P2 -","- C4 H11 Nd2 O14 P2 -","- C8 H22 Nd4 O28 P4 -","2","1","","Fogg, Andrew; Nicholls, Jennifer; Tizzard, Graham J.; Hursthouse, Michael B.; Lamond, Steven J.","C4 H11 Nd2 O14 P2","Crystal Structure Report Archive","2009","","","1230","","","","","0.71073","MoKα","","0.0237","0.0214","","","0.047","0.0486","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520289","10.455","0.0004","14.6532","0.0008","18.1135","0.001","90","","94.095","0.002","90","","2767.9","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H27 Cr N Na O14 S24 -","- C37 H27 Cr N Na O14 S24 -","- C74 H54 Cr2 N2 Na2 O28 S48 -","2","1","","Martin, Lee; Horton, Peter N.; Hursthouse, Michael B.","C37H27CrNNaO14S24","Crystal Structure Report Archive","2009","","","1234","","","","","0.71073","MoKα","","0.0896","0.0641","","","0.1221","0.136","","","","","","1.088","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520290","8.8505","0.0002","16.2148","0.0005","16.5501","0.0004","96.967","0.001","93.664","0.002","90.307","0.002","2352.53","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl4 Fe O S24 -","- C30 H26 Cl4 Fe O S24 -","- C60 H52 Cl8 Fe2 O2 S48 -","2","1","","Martin, Lee; Horton, Peter N.; Hursthouse, Michael B.","C30H26Cl4FeOS24","Crystal Structure Report Archive","2009","","","1235","","","","","0.71073","MoKα","","0.1107","0.0814","","","0.1399","0.1627","","","","","","1.201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520291","15.3066","0.0007","15.3066","0.0007","43.17","0.003","90","","90","","90","","10114.4","1","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Er N3 O12 P3 -","- C36 H81 Er N3 O12 P3 -","- C288 H648 Er8 N24 O96 P24 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.; Lamond, Steven J.","C36H81ErN3O12P3","Crystal Structure Report Archive","2009","","","1243","","","","","0.71073","MoKα","","0.1423","0.0637","","","0.1138","0.137","","","","","","1.042","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520329","7.9832","0.0006","8.8773","0.0007","12.1929","0.001","95.866","0.003","107.215","0.004","114.5","0.004","725.49","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 F3 N3 O3 -","- C12 H18 F3 N3 O3 -","- C24 H36 F6 N6 O6 -","2","1","","Murphy, Patrick J.; Horton, Peter N.; Hursthouse, Michael B.","C12H18F3N3O3","Crystal Structure Report Archive","2009","","","1048","","","","","0.71073","MoKα","","0.1279","0.0792","","","0.1219","0.1416","","","","","","1.151","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520330","14.6651","0.0005","17.6331","0.0007","30.0183","0.0011","90","","97.668","0.001","90","","7693.1","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H84 Br3 La O8 P4 -","- C80 H84 Br3 La O8 P4 -","- C320 H336 Br12 La4 O32 P16 -","4","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C80H84Br3LaO8P4","Crystal Structure Report Archive","2009","","","1236","","","","","0.71073","MoKα","","0.1035","0.067","","","0.1397","0.1574","","","","","","1.053","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520331","15.2683","0.0004","15.2683","0.0004","43.334","0.0016","90","","90","","90","","10102.1","0.5","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Gd N3 O12 P3 -","- C36 H81 Gd N3 O12 P3 -","- C288 H648 Gd8 N24 O96 P24 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81GdN3O12P3","Crystal Structure Report Archive","2009","","","1237","","","","","0.71073","MoKα","","0.09","0.0516","","","0.1058","0.1208","","","","","","1.072","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520332","15.247","0.0005","15.247","0.0005","43.4821","0.0018","90","","90","","90","","10108.3","0.6","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 N3 O12 P3 Sm -","- C36 H81 N3 O12 P3 Sm -","- C288 H648 N24 O96 P24 Sm8 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81N3O12P3Sm","Crystal Structure Report Archive","2009","","","1238","","","","","0.71073","MoKα","","0.1415","0.0823","","","0.1537","0.1777","","","","","","1.048","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520333","14.3298","0.0005","14.476","0.0005","23.9774","0.0009","90","","90","","90","","4973.8","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 N3 Nd O12 P3 -","- C36 H81 N3 Nd O12 P3 -","- C144 H324 N12 Nd4 O48 P12 -","4","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81N3NdO12P3","Crystal Structure Report Archive","2009","","","1239","","","","","0.71073","MoKα","","0.0798","0.0789","","","0.1834","0.1839","","","","","","1.1","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520334","14.3481","0.0009","14.4845","0.0009","23.9651","0.0015","90","","90","","90","","4980.5","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 N3 O12 P3 Pr -","- C36 H81 N3 O12 P3 Pr -","- C144 H324 N12 O48 P12 Pr4 -","4","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81N3O12P3Pr","Crystal Structure Report Archive","2009","","","1240","","","","","0.71073","MoKα","","0.0789","0.0781","","","0.1908","0.1911","","","","","","1.28","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520335","14.3658","0.0007","14.5103","0.0007","23.9483","0.0008","90","","90","","90","","4992.1","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 Ce N3 O12 P3 -","- C36 H81 Ce N3 O12 P3 -","- C144 H324 Ce4 N12 O48 P12 -","4","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81CeN3O12P3","Crystal Structure Report Archive","2009","","","1241","","","","","0.71073","MoKα","","0.1026","0.083","","","0.1465","0.1528","","","","","","1.197","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520336","15.3937","0.001","15.3937","0.001","43.421","0.004","90","","90","","90","","10289.3","1.3","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H81 Dy N3 O12 P3 -","- C36 H81 Dy N3 O12 P3 -","- C288 H648 Dy8 N24 O96 P24 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81DyN3O12P3","Crystal Structure Report Archive","2009","","","1242","","","","","0.71073","MoKα","","0.1082","0.0801","","","0.2233","0.2577","","","","","","1.048","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520337","15.2959","0.0006","15.2959","0.0006","43.217","0.002","90","","90","","90","","10111.2","0.7","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Ho N3 O12 P3 -","- C36 H81 Ho N3 O12 P3 -","- C288 H648 Ho8 N24 O96 P24 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81HoN3O12P3","Crystal Structure Report Archive","2009","","","1244","","","","","0.71073","MoKα","","0.0857","0.0588","","","0.1385","0.1538","","","","","","1.048","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520338","10.5375","0.0007","15.9336","0.0012","31.372","0.002","90","","90","","90","","5267.4","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O5 Si -","- C28 H36 O5 Si -","- C224 H288 O40 Si8 -","8","2","","Tizzard, Graham J.; Collins, Ian; Welford, Amanda; Hursthouse, Michael B.","(3aR,4aR,7S, 7aS, 8aS)-7-(tert-Butyl-diphenyl-silanyloxymethyl)-2,2-dimethyl- hexahydro-furo[3',4':4,5]benzo[1,2-d][1,3]dioxol-5-one","Crystal Structure Report Archive","2009","","","870","","","","","0.71073","MoKα","","0.0948","0.0791","","","0.1479","0.1543","","","","","","1.195","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520339","10.4088","0.0004","14.7524","0.0008","18.2275","0.0008","90","","94.741","0.003","90","","2789.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H27 Cr N Na O12 S24 -","- C38 H27 Cr N Na O12 S24 -","- C76 H54 Cr2 N2 Na2 O24 S48 -","2","1","","Martin, Lee; Horton, Peter N.; Hursthouse, Michael B.","C38H27CrNNaO12S24","Crystal Structure Report Archive","2009","","","1232","","","","","0.71073","MoKα","","0.1731","0.0976","","","0.1964","0.2397","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520340","32.736","0.002","6.6793","0.0005","14.7618","0.0011","90","","90","","90","","3227.7","0.4","120","2","120","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C40 H44 Br1.32 Cl0.68 O6 S32 -","- C40 H44 Br1.32 Cl0.68 O6 S32 -","- C80 H88 Br2.64 Cl1.36 O12 S64 -","2","0.25","","Martin, Lee; Horton, Peter N.; Hursthouse, Michael B.","C40H44Br1.32Cl0.68O6S32","Crystal Structure Report Archive","2009","","","1233","","","","","0.71073","MoKα","","0.0698","0.0474","","","0.1041","0.1125","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520341","7.2314","0.0002","9.476","0.0003","11.6165","0.0004","82.094","0.002","82.082","0.002","78.631","0.002","767.95","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Holliman, Peter J.; Horton, Peter N.; Hursthouse, Michael B.","C18H19NO3","Crystal Structure Report Archive","2009","","","1247","","","","","0.71073","MoKα","","0.0673","0.0541","","","0.1107","0.1189","","","","","","1.066","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520342","11.738","0.002","12.134","0.0009","15.537","0.002","90","","90","","90","","2212.9","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H14 O3 S2 -","- C10 H14 O3 S2 -","- C80 H112 O24 S16 -","8","2","","Coles, Simon J.; Hursthouse, Michael B.; Lamond, Steven J.","C10H14O3S2","Crystal Structure Report Archive","2009","","","822","","","","","0.71073","MoKα","","0.0602","0.0576","","","0.1405","0.1412","","","","","","1.161","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520343","13.3991","0.0005","8.2341","0.0003","22.8014","0.0008","90","","96.356","0.002","90","","2500.2","0.16","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","","Croft, Anna K.; Tizzard, Graham J.; Hursthouse, Michael B.","8-p-tolyl-naphthalen-1-ol","Crystal Structure Report Archive","2009","","","844","","","","","0.71073","MoKα","","0.0821","0.0553","","","0.1463","0.1638","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520344","12.0167","0.0003","5.5605","0.0001","17.6399","0.0004","90","","109.85","0.002","90","","1108.65","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O9 S -","- C20 H24 O9 S -","- C40 H48 O18 S2 -","2","1","","Croft, Anna K.; Tizzard, Graham J.; Hursthouse, Michael B.","Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-phenylsulfanyl- tetrahydropyran-3-yl ester","Crystal Structure Report Archive","2009","","","847","","","","","0.71073","MoKα","","0.0513","0.0441","","","0.0836","0.0876","","","","","","1.075","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520345","8.3288","0.0002","9.0098","0.0003","25.4028","0.0008","90","","90","","90","","1906.25","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O11 -","- C16 H22 O11 -","- C64 H88 O44 -","4","1","","Croft, Anna K.; Tizzard, Graham J.; Hursthouse, Michael B.","Acetic acid 2,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-3-yl ester","Crystal Structure Report Archive","2009","","","853","","","","","0.71073","MoKα","","0.0532","0.0445","","","0.0854","0.0903","","","","","","1.121","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520346","18.9488","0.0006","5.6024","0.0001","20.7934","0.0006","90","","90.355","0.002","90","","2207.36","0.1","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H26 O9 S -","- C21 H26 O9 S -","- C84 H104 O36 S4 -","4","1","","Croft, Anna K.; Tizzard, Graham J.; Hursthouse, Michael B.","Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-benzylsulfanyl- tetrahydro-pyran-3-yl ester","Crystal Structure Report Archive","2009","","","858","","","","","0.71073","MoKα","","0.0869","0.0617","","","0.11","0.1233","","","","","","1.102","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520347","4.755","0.0001","12.4624","0.0003","24.784","0.0007","90","","90","","90","","1468.67","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O8 -","- C14 H17 N O8 -","- C56 H68 N4 O32 -","4","1","","Tizzard, Graham J.; Hursthouse, Michael B.; Croft, Anna K.","N-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)- phthalamic acid","Crystal Structure Report Archive","2009","","","871","","","","","0.71073","MoKα","","0.0618","0.0492","","","0.0863","0.0923","","","","","","1.099","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520348","9.3572","0.0001","11.0999","0.0002","25.9334","0.0005","90","","90","","90","","2693.55","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O15 -","- C24 H32 O15 -","- C96 H128 O60 -","4","1","","Tizzard, Graham J.; Hursthouse, Michael B.; Croft, Anna K.","Acetic acid (2R,3S,4R,5S,6S)-3,4,5-triacetoxy-6-((2S,4R)-4-acetoxy-2- acetoxymethyl-oxepan-3-ylmethyl)-tetrahydro-pyran-2-ylmethyl ester","Crystal Structure Report Archive","2009","","","872","","","","","0.71073","MoKα","","0.0588","0.0467","","","0.084","0.0897","","","","","","1.152","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520349","8.1239","0.0005","9.4947","0.0005","9.9342","0.0004","106.587","0.003","91.279","0.003","96.031","0.003","729.21","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H15 B5 N2 O10 -","- C6 H15 B5 N2 O10 -","- C12 H30 B10 N4 O20 -","2","1","","Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B.","C6H15B5N2O10","Crystal Structure Report Archive","2009","","","1246","","","","","0.71073","MoKα","","0.072","0.0549","","","0.1452","0.1578","","","","","","1.058","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520350","13.0523","0.0002","7.4206","0.0001","13.7092","0.0002","90","","94.027","0.001","90","","1324.54","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 I N -","- C13 H18 I N -","- C52 H72 I4 N4 -","4","1","","Holliman, Peter J.; Horton, Peter N.; Hursthouse, Michael B.","C13H18IN","Crystal Structure Report Archive","2009","","","1248","","","","","0.71073","MoKα","","0.0205","0.0191","","","0.0419","0.0428","","","","","","1.073","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520351","6.9529","0.0001","11.462","0.0003","15.7644","0.0005","90","","90","","90","","1256.33","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 I N -","- C12 H16 I N -","- C48 H64 I4 N4 -","4","1","","Holliman, Peter J.; Horton, Peter N.; Hursthouse, Michael B.","C12H16IN","Crystal Structure Report Archive","2009","","","1249","","","","","0.71073","MoKα","","0.0282","0.0261","","","0.0509","0.052","","","","","","1.074","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520352","10.7827","0.0012","13.1678","0.0012","16.8284","0.0018","90","","90","","90","","2389.4","0.4","120","2","120","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H28 B Cl3 F4 Ru2 -","- C20 H28 B Cl3 F4 Ru2 -","- C80 H112 B4 Cl12 F16 Ru8 -","4","0.5","","Fletcher, Nicholas C.; Horton, Peter N.; Hursthouse, Michael B.","C20H28BCl3F4Ru2","Crystal Structure Report Archive","2009","","","1250","","","","","0.71073","MoKα","","0.093","0.0606","","","0.1276","0.1486","","","","","","1.092","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520353","16.2982","0.0006","16.2982","0.0006","17.0833","0.0006","90","","90","","90","","4537.9","0.3","120","2","120","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","N-(2-tert-butylphenyl)acetamide","","- C12 H17 N O -","- C12 H17 N O -","- C192 H272 N16 O16 -","16","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-tert-butylphenyl)acetamide","Crystal Structure Report Archive","2009","","","1369","","","","","0.71073","MoKα","","0.107","0.0621","","","0.1219","0.1393","","","","","","1.02","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520354","3.821","0.005","9.726","0.014","22.67","0.03","92.151","0.016","93.359","0.018","100.409","0.016","826.2","1.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","N-(4-nitrophenyl)acetamide","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","2","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-nitrophenyl)acetamide","Crystal Structure Report Archive","2009","","","1383","","","","","0.6889","synchrotron","","0.1847","0.1566","","","0.3672","0.3795","","","","","","1.129","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520355","10.5164","0.0003","9.8032","0.0003","10.9034","0.0002","90","","95.691","0.002","90","","1118.54","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-butoxyphenyl)acetamide","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-butoxyphenyl)acetamide","Crystal Structure Report Archive","2009","","","1402","","","","","0.71073","MoKα","","0.0487","0.0392","","","0.0962","0.1017","","","","","","1.061","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520356","30.8593","0.0006","6.0109","0.0001","14.3854","0.0002","90","","100.778","0.001","90","","2621.31","0.08","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Cl10 N6 O2 P6 -","- C6 H12 Cl10 N6 O2 P6 -","- C24 H48 Cl40 N24 O8 P24 -","4","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Kilic, A.; Davies, David B.","C6H12Cl10N6O2P6","Crystal Structure Report Archive","2009","","","715","","","","","0.71073","MoKα","","0.0868","0.0827","","","0.2196","0.2211","","","","","","1.132","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520357","10.1145","0.0004","10.9859","0.0005","15.0878","0.0006","72.775","0.003","72.933","0.003","73.224","0.003","1492.97","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl8 N6 O4 P6 -","- C12 H24 Cl8 N6 O4 P6 -","- C24 H48 Cl16 N12 O8 P12 -","2","1","","Coles, Simon J.; Hursthouse, Michael B.; Kilic, A.; Davies, David B.","C12H48Cl8N6O4P6","Crystal Structure Report Archive","2009","","","717","","","","","0.71073","MoKα","","0.1117","0.0592","","","0.1106","0.1288","","","","","","1.033","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520358","19.3041","0.0007","13.1353","0.0005","10.1462","0.0003","90","","90","","90","","2572.72","0.16","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H32 B N O2 -","- C31 H32 B N O3 -","- C124 H128 B4 N4 O12 -","4","0.5","","Tizzard, Graham. J.; Coles, Simon J.; Hursthouse, Michael B.; Motherwell, W. B.","(C8H14NO2)+ . (C24H20B)-","Crystal Structure Report Archive","2009","","","816","","","","","0.71073","MoKα","","0.0769","0.0699","","","0.167","0.172","","","","","","1.058","","","","has coordinates,has disorder","138361","2020-10-21","18:00:00",""
"1520359","10.2479","0.0003","12.5527","0.0004","15.9489","0.0005","105.062","0.002","106.841","0.002","101.499","0.002","1810.55","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H92 F N O28 Si8 -","- C56 H92 F N O28 Si8 -","- C56 H92 F N O28 Si8 -","1","0.5","","Taylor, Peter G.; Horton, Peter N.; Hursthouse, Michael B.; Stephenson, Richard","C56H92FNO28Si8","Crystal Structure Report Archive","2009","","","1245","","","","","0.71073","MoKα","","0.0706","0.0455","","","0.1089","0.1206","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520360","22.6513","0.0008","7.5907","0.0005","22.7311","0.0014","90","","101.11","0.003","90","","3835.1","0.4","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H16 N2 O4 -","- C24 H16 N2 O4 -","- C192 H128 N16 O32 -","8","2","","Holliman, Peter J.; Callear, Samantha K.; Hursthouse, Michael B.","C24H16N2O4","Crystal Structure Report Archive","2009","","","667","","","","","0.71073","MoKα","","0.1392","0.0763","","","0.1921","0.2287","","","","","","1.055","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520361","6.1693","0.0005","7.0845","0.0006","10.3537","0.0008","87.871","0.005","74.394","0.005","69.471","0.005","407.34","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 N3 O S -","- C8 H5 N3 O S -","- C16 H10 N6 O2 S2 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C8H5N3OS","Crystal Structure Report Archive","2009","","","709","","","","","0.71073","MoKα","","0.097","0.0642","","","0.1118","0.1271","","","","","","1.129","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520362","6.1704","0.0004","7.1051","0.0005","10.8713","0.0006","79.486","0.004","76.174","0.004","67.853","0.003","426.39","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 N3 O -","- C10 H7 N3 O -","- C20 H14 N6 O2 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C10H7N3O","Crystal Structure Report Archive","2009","","","710","","","","","0.71073","MoKα","","0.0619","0.0463","","","0.1123","0.123","","","","","","1.035","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520363","6.87","0.0003","23.3867","0.0014","24.351","0.0015","90","","90","","90","","3912.4","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cl N4 O7 Si -","- C15 H19 Cl N4 O7 Si -","- C120 H152 Cl8 N32 O56 Si8 -","8","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C15H19ClN4O7Si","Crystal Structure Report Archive","2009","","","711","","","","","0.71073","MoKα","","0.194","0.1744","","","0.3437","0.3534","","","","","","1.271","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1520364","11.5481","0.0004","8.4612","0.0004","16.5109","0.0008","90","","98.323","0.003","90","","1596.3","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N6 O3 -","- C16 H16 N6 O3 -","- C64 H64 N24 O12 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C16H16N6O3","Crystal Structure Report Archive","2009","","","712","","","","","0.71073","MoKα","","0.1033","0.0607","","","0.1434","0.1698","","","","","","1.031","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520365","19.919","0.0015","4.7488","0.0004","12.3797","0.0011","90","","95.736","0.005","90","","1165.15","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Holliman, Peter J.; Callear, Samantha K.; Hursthouse, Michael B.","C12H16N2O2","Crystal Structure Report Archive","2009","","","713","","","","","0.71073","MoKα","","0.1331","0.0875","","","0.1486","0.1707","","","","","","1.096","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520366","19.7544","0.0004","7.0169","0.0001","11.6931","0.0002","90","","103.21","0.001","90","","1577.95","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N3 O2 -","- C8 H5 N3 O2 -","- C64 H40 N24 O16 -","8","2","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C8H5N3O2","Crystal Structure Report Archive","2009","","","714","","","","","0.71073","MoKα","","0.0561","0.0436","","","0.1107","0.1206","","","","","","1.035","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520367","11.3163","0.0003","11.8126","0.0002","33.2617","0.0007","90","","99.35","0.001","90","","4387.18","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 Br2 S3 -","- C46 H58 Br2 S3 -","- C184 H232 Br8 S12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.; Afonina, Irina; Kanibolotsky, Alexander","C46H58Br2S3","Crystal Structure Report Archive","2009","","","716","","","","","0.71073","MoKα","","0.0762","0.052","","","0.1138","0.1255","","","","","","1.039","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520368","39.9227","0.0015","8.317","0.0003","12.9213","0.0005","90","","90","","90","","4290.4","0.3","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C192 H208 N16 O32 -","16","2","","Holliman, Peter J.; Horton, Peter N.; Hursthouse, Michael B.","C12H13NO2","Crystal Structure Report Archive","2009","","","718","","","","","0.71073","MoKα","","0.1007","0.0711","","","0.1292","0.145","","","","","","1.103","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520369","12.0632","0.0015","17.471","0.002","11.7628","0.0011","90","","105.363","0.007","90","","2390.5","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 O3 -","- C27 H29 N3 O3 -","- C108 H116 N12 O12 -","4","1","","Stephenson, Richard A.; Murphy, P. J.; Hursthouse, Michael B.","C27H29N3O3","Crystal Structure Report Archive","2009","","","679","","","","","0.71073","MoKα","","0.1906","0.1086","","","0.1678","0.1953","","","","","","1.113","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520370","9.0871","0.0003","7.3467","0.0002","21.0204","0.0006","90","","101.787","0.001","90","","1373.74","0.07","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl3 F3 N O Si -","- C9 H9 Cl3 F3 N O Si -","- C36 H36 Cl12 F12 N4 O4 Si4 -","4","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C9H9Cl3F3NOSi","Crystal Structure Report Archive","2009","","","699","","","","","0.71073","MoKα","","0.1116","0.0947","","","0.2496","0.2635","","","","","","1.07","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520371","10.8836","0.0011","8.4697","0.0009","7.9738","0.0007","90","","102.651","0.006","90","","717.19","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Cl F3 N O -","- C6 H3 Cl F3 N O -","- C24 H12 Cl4 F12 N4 O4 -","4","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C6H3ClF3NO","Crystal Structure Report Archive","2009","","","700","","","","","0.71073","MoKα","","0.0826","0.0513","","","0.1158","0.129","","","","","","1.054","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520372","13.251","0.0002","8.739","0.0002","17.9308","0.0004","90","","110.145","0.001","90","","1949.37","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Cl2 Ir N2 -","- C18 H29 Cl2 Ir N2 -","- C72 H116 Cl8 Ir4 N8 -","4","1","","Marr, Andrew; Penn-Kook, Annie; Lacroix, Sophie; Horton, Peter N.; Hursthouse, Michael B.","C18H29N2Cl2Ir","Crystal Structure Report Archive","2009","","","701","","","","","0.71073","MoKα","","0.0298","0.0239","","","0.0448","0.047","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520373","10.1076","0.001","13.0403","0.001","20.626","0.0015","84.364","0.005","82.811","0.004","76.492","0.004","2615.9","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 B6 O13.5 P -","- C19 H25 B6 O13.4995 P -","- C76 H100 B24 O53.998 P4 -","4","2","","Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B.","C19H21B6O13.5P","Crystal Structure Report Archive","2009","","","702","","","","","0.71073","MoKα","","0.1042","0.0749","","","0.1527","0.173","","","","","","1.047","","","","has coordinates,has disorder","279817","2022-12-09","07:50:08",""
"1520374","9.3511","0.0002","14.5157","0.0004","10.467","0.0002","90","","90.778","0.002","90","","1420.64","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 B5 N O10 -","- C7 H14 B5 N O10 -","- C28 H56 B20 N4 O40 -","4","1","","Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B.","C7H14B5O10N","Crystal Structure Report Archive","2009","","","703","","","","","0.71073","MoKα","","0.0457","0.0391","","","0.0874","0.0922","","","","","","1.074","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520375","29.6827","0.0006","10.1604","0.0002","20.2114","0.0004","90","","91.337","0.001","90","","6093.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I N P2 -","- C36 H30 I N P2 -","- C288 H240 I8 N8 P16 -","8","2","","Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B.","C36H30INP2","Crystal Structure Report Archive","2009","","","704","","","","","0.71073","MoKα","","0.0613","0.0483","","","0.0966","0.1045","","","","","","1.111","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520376","5.4433","0.0002","6.144","0.0003","15.5205","0.0007","87.696","0.003","84.42","0.003","70.454","0.002","486.82","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 N3 O -","- C10 H13 N3 O -","- C20 H26 N6 O2 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C10H13N3O","Crystal Structure Report Archive","2009","","","706","","","","","0.71073","MoKα","","0.0797","0.0591","","","0.1184","0.1309","","","","","","1.083","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520377","4.9556","0.0001","15.8959","0.0004","15.8659","0.0004","90","","92.257","0.002","90","","1248.85","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C15H11N3O2","Crystal Structure Report Archive","2009","","","707","","","","","0.71073","MoKα","","0.0895","0.0617","","","0.1159","0.1322","","","","","","1.08","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520378","9.5853","0.0001","19.1332","0.0003","12.3889","0.0002","90","","103.732","0.001","90","","2207.15","0.06","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O4 Pd2 S2 -","- C22 H18 N2 O4 Pd2 S2 -","- C88 H72 N8 O16 Pd8 S8 -","4","1","","Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.","C22H18N2O4Pd2S2","Crystal Structure Report Archive","2009","","","708","","","","","0.71073","MoKα","","0.0314","0.0282","","","0.06","0.0611","","","","","","1.169","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520390","13.0885","0.0002","12.5754","0.0003","14.4854","0.0003","90","","110.753","0.001","90","","2229.5","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O4 S2 Se2 -","- C20 H26 O4 S2 Se2 -","- C80 H104 O16 S8 Se8 -","4","1","","Wirth, Thomas; Callear, Samantha K.; Hursthouse, Michael B.","C20H26O4S2Se2","Crystal Structure Report Archive","2009","","","653","","","","","0.71073","MoKα","","0.0565","0.0366","","","0.0695","0.0758","","","","","","1.045","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520391","16.8121","0.0012","19.229","0.002","22.968","0.003","90","","90","","90","","7425.1","1.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H60 Cl Fe O4 P2 Rh -","- C37 H60 Cl Fe O4 P2 Rh -","- C296 H480 Cl8 Fe8 O32 P16 Rh8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Butler, I. R.","C37H60ClFeO4P2Rh","Crystal Structure Report Archive","2009","","","654","","","","","0.71073","MoKα","","0.0491","0.034","","","0.0902","0.1007","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520392","6.2066","0.0003","17.196","0.0008","15.1712","0.0006","90","","90.442","0.002","90","","1619.15","0.13","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl N3 P Pd S -","- C14 H21 Cl N3 P Pd S -","- C56 H84 Cl4 N12 P4 Pd4 S4 -","4","1","","Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.","C14H21ClN3PPdS","Crystal Structure Report Archive","2009","","","655","","","","","0.71073","MoKα","","0.1154","0.078","","","0.1363","0.1527","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520393","8.9301","0.0002","10.8793","0.0002","23.2605","0.0004","90","","90","","90","","2259.83","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 I2 N4 O2 -","- C18 H28 I2 N4 O2 -","- C72 H112 I8 N16 O8 -","4","1","","Dervisi, A.; Callear, Samantha K.; Hursthouse, Michael B.","C18H28I2N4O2","Crystal Structure Report Archive","2009","","","658","","","","","0.71073","MoKα","","0.0374","0.0313","","","0.0689","0.0723","","","","","","1.045","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520394","8.8936","0.0002","22.0632","0.0006","7.8946","0.0002","90","","106.318","0.001","90","","1486.69","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl N2 O3 Si -","- C13 H17 Cl N2 O3 Si -","- C52 H68 Cl4 N8 O12 Si4 -","4","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C13H17ClN2O3Si","Crystal Structure Report Archive","2009","","","659","","","","","0.71073","MoKα","","0.0579","0.0482","","","0.0979","0.1041","","","","","","1.053","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520395","12.248","0.0003","9.1264","0.0003","25.8185","0.0007","90","","96.561","0.002","90","","2867.09","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 B1.88 Br0.12 F3.52 O2 P -","- C25 H45 B1.88 Br0.12 F3.52 O2 P -","- C100 H180 B7.52 Br0.48 F14.08 O8 P4 -","4","1","","Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.","C25H45B1.88Br0.12F3.52O2P","Crystal Structure Report Archive","2009","","","661","","","","","0.71073","MoKα","","0.132","0.0856","","","0.1405","0.1603","","","","","","1.188","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520396","10.6695","0.0009","17.3082","0.0017","7.7714","0.0006","90","","116.56","0.003","90","","1283.7","0.2","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H12 Cl2 N2 O3 Si -","- C9 H12 Cl2 N2 O3 Si -","- C36 H48 Cl8 N8 O12 Si4 -","4","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C9H12Cl2N2O3Si","Crystal Structure Report Archive","2009","","","662","","","","","0.71073","MoKα","","0.0982","0.0664","","","0.1369","0.1554","","","","","","1.104","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520397","24.2668","0.0009","6.9038","0.0002","23.7477","0.0009","90","","93.232","0.002","90","","3972.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl N4 O7 Si -","- C16 H21 Cl N4 O7 Si -","- C128 H168 Cl8 N32 O56 Si8 -","8","2","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C16H21ClN4O7Si","Crystal Structure Report Archive","2009","","","663","","","","","0.71073","MoKα","","0.1152","0.0702","","","0.134","0.1557","","","","","","1.085","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520398","9.4839","0.00001","11.0427","0.0002","26.077","0.0004","90","","95.022","0.001","90","","2720.5","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O2 P Pd S -","- C32 H31 N O2 P Pd S -","- C128 H124 N4 O8 P4 Pd4 S4 -","4","1","","Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.","C32H31NO2PPdS","Crystal Structure Report Archive","2009","","","664","","","","","0.71073","MoKα","","0.0681","0.0585","","","0.1369","0.1427","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520399","8.1049","0.0002","6.1023","0.0002","17.6777","0.0005","90","","92.219","0.002","90","","873.66","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 F N3 O -","- C10 H6 F N3 O -","- C40 H24 F4 N12 O4 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C10H6FN3O","Crystal Structure Report Archive","2009","","","705","","","","","0.71073","MoKα","","0.0466","0.0396","","","0.0969","0.1023","","","","","","1.023","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520400","10.5174","0.0002","9.4252","0.0004","16.2656","0.0006","90","","90","","90","","1612.39","0.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-chlorophenyl)acetamide","Crystal Structure Report Archive","2009","","","1368","","","","","0.71073","MoKα","","0.049","0.0389","","","0.092","0.0966","","","","","","1.106","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520401","7.0527","0.0003","12.7252","0.0006","9.6648","0.0004","90","","111.315","0.003","90","","808.05","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(3-cyanophenyl)acetamide","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-cyanophenyl)acetamide","Crystal Structure Report Archive","2009","","","1377","","","","","0.71073","MoKα","","0.0594","0.0498","","","0.1096","0.1137","","","","","","1.18","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520402","5.5061","0.0002","7.2607","0.0003","11.4567","0.0005","103.709","0.002","93.064","0.003","100.528","0.003","435.23","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","N-(3-acetylphenyl)acetamide","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-acetylphenyl)acetamide","Crystal Structure Report Archive","2009","","","1378","","","","","0.71073","MoKα","","0.0867","0.0547","","","0.1239","0.1428","","","","","","1.092","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520403","3.8456","0.001","22.19","0.005","9.448","0.002","90","","90.048","0.015","90","","806.2","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-(4-cyanophenyl)acetamide","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-cyanophenyl)acetamide","Crystal Structure Report Archive","2009","","","1401","","","","","0.71073","MoKα","","0.1246","0.0699","","","0.1401","0.1679","","","","","","1.134","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520404","14.477","0.0005","11.2719","0.0004","9.0254","0.0003","90","","102.352","0.002","90","","1438.7","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 O2 -","- C15 H24 N2 O2 -","- C60 H96 N8 O8 -","4","1","","Wirth, Thomas; Callear, Samantha K.; Hursthouse, Michael B.","C15H24N2O2","Crystal Structure Report Archive","2009","","","633","","","","","0.71073","MoKα","","0.155","0.0838","","","0.1255","0.1525","","","","","","1.115","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520405","17.1242","0.0011","7.4638","0.0005","7.6228","0.0005","90","","91.048","0.004","90","","974.12","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 La2 O16 S2 W2 -","- C10 H10 La2 O16 S2 W2 -","- C20 H20 La4 O32 S4 W4 -","2","0.5","","Fogg, Andrew; Nicholls, Jennifer; Callear, Samantha K.; Hursthouse, Michael B.","C10H10La2O16S2W2","Crystal Structure Report Archive","2009","","","639","","","","","0.71073","MoKα","","0.077","0.0595","","","0.1166","0.1255","","","","","","1.121","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520406","12.1273","0.0003","11.4724","0.0004","11.5592","0.0004","90","","90.735","0.002","90","","1608.09","0.09","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 O2 -","- C7 H16 O2 -","- C56 H128 O16 -","8","2","","Gillott, D.; Callear, Samantha K.","2,2-diethyl-1,3-propanediol","Crystal Structure Report Archive","2009","","","642","","","","","0.71073","MoKα","","0.1426","0.0964","","","0.165","0.1888","","","","","","1.105","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520407","6.463","0.0008","12.9251","0.0014","20.862","0.002","90","","93.69","0.004","90","","1739.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 B N O3 -","- C17 H26 B N O3 -","- C68 H104 B4 N4 O12 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C17H26BNO3","Crystal Structure Report Archive","2009","","","649","","","","","0.71073","MoKα","","0.1909","0.105","","","0.1787","0.2227","","","","","","1.081","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520408","10.2948","0.0003","12.6066","0.0004","14.3449","0.0004","90","","109.01","0.002","90","","1760.18","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl2 N4 O6 Si -","- C13 H13 Cl2 N4 O6 Si -","- C52 H52 Cl8 N16 O24 Si4 -","4","1","","Taylor, P. G.; Callear, Samantha K.; Stephenson, Richard; Hursthouse, Michael B.","C13H13Cl2N4O6Si","Crystal Structure Report Archive","2009","","","660","","","","","0.71073","MoKα","","0.0622","0.0445","","","0.091","0.0987","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520409","9.441","0.0003","10.7119","0.0003","13.1912","0.0004","73.838","0.002","86.183","0.002","70.395","0.002","1206.51","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H24 O2 -","- C11 H24 O2 -","- C44 H96 O8 -","4","2","","Addy, D.; Callear, Samantha K.","2,2-dibutyl-1,3-propanediol","Crystal Structure Report Archive","2009","","","643","","","","","0.71073","MoKα","","0.0835","0.0528","","","0.1198","0.1346","","","","","","1.029","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520410","15.1518","0.0005","6.1889","0.0002","11.279","0.0003","90","","109.004","0.002","90","","1000.02","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N4 O -","- C10 H14 N4 O -","- C40 H56 N16 O4 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C10H14N4O","Crystal Structure Report Archive","2009","","","634","","","","","0.71073","MoKα","","0.078","0.0564","","","0.1089","0.1216","","","","","","1.049","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520411","6.1453","0.0002","7.8485","0.0002","27.6153","0.0008","90","","90","","90","","1331.92","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F N4 O -","- C15 H15 F N4 O -","- C60 H60 F4 N16 O4 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C15H15FN4O","Crystal Structure Report Archive","2009","","","635","","","","","0.71073","MoKα","","0.055","0.0467","","","0.0887","0.0938","","","","","","1.175","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520412","13.5783","0.0007","8.2142","0.0004","12.6554","0.0005","90","","103.051","0.003","90","","1375.06","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C56 H68 N20 O4 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C14H17N5O","Crystal Structure Report Archive","2009","","","636","","","","","0.71073","MoKα","","0.1455","0.0868","","","0.1533","0.1845","","","","","","1.142","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520413","6.2194","0.0002","7.6717","0.0002","13.7114","0.0005","90","","101.551","0.002","90","","640.97","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 N4 O S -","- C13 H14 N4 O S -","- C26 H28 N8 O2 S2 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C13H14N4OS","Crystal Structure Report Archive","2009","","","637","","","","","0.71073","MoKα","","0.0419","0.0375","","","0.0804","0.0833","","","","","","1.082","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520414","5.8119","0.0002","12.94","0.0005","11.9303","0.0004","90","","95.045","0.002","90","","893.75","0.06","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","","Motherwell, W.; Callear, Samantha K.; Hursthouse, Michael B.","C9H14O3","Crystal Structure Report Archive","2009","","","638","","","","","0.71073","MoKα","","0.0737","0.0545","","","0.0975","0.1074","","","","","","1.081","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520415","7.255","0.0002","8.111","0.0002","16.931","0.0004","80.408","0.001","78.681","0.001","89.674","0.001","962.9","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 La4 O32 S4 W4 -","- C20 H12 La4 O32 S4 W4 -","- C20 H12 La4 O32 S4 W4 -","1","0.5","","Fogg, Andrew; Nicholls, Jennifer; Callear, Samantha K.; Hursthouse, Michael B.","C20H20La4O32S4W4","Crystal Structure Report Archive","2009","","","640","","","","","0.71073","MoKα","","0.0483","0.0387","","","0.0779","0.0827","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520416","8.8363","0.0004","10.2749","0.0003","11.6567","0.0005","86.643","0.003","86.468","0.002","86.435","0.002","1052.69","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 Cl N5 O P Pd -","- C22 H25 Cl N5 O P Pd -","- C44 H50 Cl2 N10 O2 P2 Pd2 -","2","1","","Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.","C22H25ClN5OPPd","Crystal Structure Report Archive","2009","","","641","","","","","0.71073","MoKα","","0.0686","0.0532","","","0.1018","0.1097","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520417","10.5278","0.0005","5.3937","0.0002","27.1476","0.0014","90","","94.292","0.002","90","","1537.22","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N4 O -","- C16 H23 N4 O -","- C64 H92 N16 O4 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.","C16H23N4O","Crystal Structure Report Archive","2009","","","646","","","","","0.71073","MoKα","","0.1102","0.0782","","","0.1535","0.1734","","","","","","1.063","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520418","15.865","0.0012","5.6205","0.0004","16.4742","0.0012","90","","106.779","0.004","90","","1406.45","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F N4 O -","- C16 H17 F N4 O -","- C64 H68 F4 N16 O4 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C16H17FN4O","Crystal Structure Report Archive","2009","","","647","","","","","0.71073","MoKα","","0.1999","0.1116","","","0.176","0.2139","","","","","","1.135","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520419","11.8719","0.0003","15.0801","0.0003","15.5429","0.0003","90","","90","","90","","2782.64","0.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Cl N2 O2 Si -","- C13 H15 Cl N2 O2 Si -","- C104 H120 Cl8 N16 O16 Si8 -","8","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C13H15ClN2O2Si","Crystal Structure Report Archive","2009","","","651","","","","","0.71073","MoKα","","0.0598","0.0414","","","0.1006","0.1105","","","","","","1.052","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520420","3.7477","0.0001","10.0209","0.0003","12.8933","0.0003","90","","91.718","0.002","90","","483.99","0.02","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 -","- C12 H6 N4 -","- C24 H12 N8 -","2","0.5","","Coles, Simon J.; Hursthouse, Michael B.; Sengul, Abdurrahaman","2,2'Bipyridyl-3,3'dicarbonitrile","Crystal Structure Report Archive","2009","","","624","","","","","0.71073","MoKα","","0.0612","0.0583","","","0.1326","0.1361","","","","","","1.098","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520421","8.9934","0.001","10.0238","0.0011","10.5796","0.0012","97.045","0.003","107.44","0.003","116.265","0.004","778.78","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 Cl3 N6 O -","- C10 H21 Cl3 N6 O -","- C20 H42 Cl6 N12 O2 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C10H21Cl3N6O","Crystal Structure Report Archive","2009","","","626","","","","","0.71073","MoKα","","0.1248","0.0847","","","0.1734","0.1981","","","","","","1.116","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520422","8.1593","0.0004","15.423","0.0008","22.8878","0.0009","90","","90","","90","","2880.2","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O2 S -","- C15 H17 N3 O2 S -","- C120 H136 N24 O16 S8 -","8","2","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C15H17N3O2S","Crystal Structure Report Archive","2009","","","629","","","","","0.71073","MoKα","","0.1567","0.0724","","","0.1283","0.1584","","","","","","0.99","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520423","9.2292","0.0005","5.7759","0.0003","19.7467","0.0012","90","","102.396","0.003","90","","1028.1","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N3 O -","- C11 H15 N3 O -","- C44 H60 N12 O4 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C11H15N3O","Crystal Structure Report Archive","2009","","","630","","","","","0.71073","MoKα","","0.1355","0.0827","","","0.1363","0.162","","","","","","1.107","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520424","3.8043","0.0011","12.987","0.004","14.401","0.003","90","","90","","90","","711.5","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-methyl-3-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","2-methyl-3-nitroaniline","Crystal Structure Report Archive","2009","","","632","","","","","0.71073","MoKα","","0.2282","0.1223","","","0.1605","0.196","","","","","","1.158","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520425","20.4469","0.0013","5.6971","0.0003","9.6808","0.0005","90","","93.743","0.004","90","","1125.29","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N3 O2 S -","- C10 H15 N3 O2 S -","- C40 H60 N12 O8 S4 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C10H15N3O2S","Crystal Structure Report Archive","2009","","","645","","","","","0.71073","MoKα","","0.1461","0.0876","","","0.149","0.176","","","","","","1.143","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520426","17.4825","0.0005","7.342","0.0002","23.1152","0.0007","90","","90","","90","","2966.99","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N O -","- C20 H17 Fe N O -","- C160 H136 Fe8 N8 O8 -","8","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C20H17FeNO","Crystal Structure Report Archive","2009","","","648","","","","","0.71073","MoKα","","0.1399","0.0871","","","0.1426","0.1661","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520427","7.7644","0.0002","8.7396","0.0003","9.6184","0.0003","108.028","0.001","96.346","0.002","107.648","0.002","576.19","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N2 O4 -","- C12 H8 N2 O4 -","- C24 H16 N4 O8 -","2","1","","Holliman, Peter J.; Callear, Samantha K.; Hursthouse, Michael B.","C12H8N2O4","Crystal Structure Report Archive","2009","","","650","","","","","0.71073","MoKα","","0.0544","0.0439","","","0.1133","0.1206","","","","","","1.049","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520428","8.4342","0.0003","7.2543","0.0002","9.661","0.0003","90","","103.079","0.002","90","","575.77","0.03","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H14 I N O2 Si -","- C8 H14 I N O2 Si -","- C16 H28 I2 N2 O4 Si2 -","2","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C8H14INO2Si","Crystal Structure Report Archive","2009","","","652","","","","","0.71073","MoKα","","0.0271","0.0242","","","0.0481","0.0495","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520429","8.0497","0.0002","17.7203","0.0003","10.1483","0.0003","90","","102.323","0.002","90","","1414.23","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-butyryl-N-(2-cyanophenyl)butanamide","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-Butyryl-N-(2-cyanophenyl)butanamide","Crystal Structure Report Archive","2009","","","694","","","","","0.71073","MoKα","","0.0479","0.0401","","","0.0943","0.0986","","","","","","1.033","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520430","11.1083","0.0006","4.8283","0.0003","15.2681","0.0007","90","","99.17","0.003","90","","808.43","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-methylphenyl)acetamide","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-methylphenyl)acetamide","Crystal Structure Report Archive","2009","","","1367","","","","","0.71073","MoKα","","0.0587","0.0475","","","0.1199","0.1322","","","","","","0.959","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520431","19.855","0.0015","5.002","0.0005","18.336","0.0016","90","","108.655","0.004","90","","1725.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-bromophenyl)acetamide","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C64 H64 Br8 N8 O8 -","8","2","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-bromophenyl)acetamide","Crystal Structure Report Archive","2009","","","1381","","","","","0.71073","MoKα","","0.0987","0.0648","","","0.1647","0.1914","","","","","","1.025","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520432","12.2837","0.0004","9.4548","0.0004","7.3046","0.0003","90","","99.932","0.002","90","","835.64","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-methylphenyl)acetamide","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-methylphenyl)acetamide","Crystal Structure Report Archive","2009","","","1382","","","","","0.71073","MoKα","","0.0761","0.0589","","","0.1318","0.146","","","","","","1.079","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520433","7.5138","0.0005","9.3146","0.0007","12.8999","0.0011","90","","90","","90","","902.84","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(4-acetylphenyl)acetamide","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-acetylphenyl)acetamide","Crystal Structure Report Archive","2009","","","1399","","","","","0.71073","MoKα","","0.1192","0.0785","","","0.1377","0.1537","","","","","","1.162","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520434","10.0998","0.0002","10.2807","0.0002","11.7549","0.0003","100.067","0.002","100.429","0.001","103.216","0.002","1138.41","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H35 B N2 O4 -","- C22 H35 B N2 O4 -","- C44 H70 B2 N4 O8 -","2","1","","Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.","C22H35BN2O4","Crystal Structure Report Archive","2009","","","623","","","","","0.71073","MoKα","","0.074","0.0555","","","0.1051","0.1151","","","","","","1.07","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520435","15.5741","0.0006","14.8047","0.0004","18.4602","0.0008","90","","90","","90","","4256.4","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.5 H9.5 N4.5 O0.5 Zn -","- C7.5 H9.5 N4.5 O0.5 Zn -","- C120 H152 N72 O8 Zn16 -","16","2","","Cheetham, A.K.; Bennett, T.D.; Callear, Samantha K.; Hursthouse, Michael B.","C7.5H9.5N4.5O0.5Zn","Crystal Structure Report Archive","2009","","","625","","","","","0.71073","MoKα","","0.0889","0.0473","","","0.0994","0.1143","","","","","","1.014","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520436","8.2919","0.0003","5.9109","0.0002","12.402","0.0005","90","","96.272","0.002","90","","604.22","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C28 H30 N6 O4 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C14H15N3O2","Crystal Structure Report Archive","2009","","","627","","","","","0.71073","MoKα","","0.0435","0.0357","","","0.0827","0.0868","","","","","","1.048","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520437","13.2331","0.0006","11.7105","0.0006","10.2193","0.0005","90","","99.664","0.003","90","","1561.17","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N4 O6 S2 -","- C10 H20 N4 O6 S2 -","- C40 H80 N16 O24 S8 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C10H20N4O6S2","Crystal Structure Report Archive","2009","","","628","","","","","0.71073","MoKα","","0.1496","0.0893","","","0.1383","0.1625","","","","","","1.182","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520438","6.278","0.0003","7.5736","0.0002","13.9057","0.0007","90","","101.879","0.002","90","","647.02","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O S -","- C14 H15 N3 O S -","- C28 H30 N6 O2 S2 -","2","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C14H15N3OS","Crystal Structure Report Archive","2009","","","631","","","","","0.71073","MoKα","","0.0664","0.0474","","","0.1012","0.1111","","","","","","1.03","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520457","11.8955","0.0003","7.1235","0.0002","25.8183","0.0006","90","","101.693","0.001","90","","2142.38","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-4-fluoro-N-(3,4,5-trifluorobenzylidene)aniline","(E)-4-fluoro-N-(3,4,5-trifluorobenzylidene)aniline","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Adler, Philip D. F.; Threlfall, Terence L.; Tizzard, Graham J.","C13H6F5N","Crystal Structure Report Archive","2010","","","1311","","","","","0.71073","MoKα","","0.0856","0.053","","","0.122","0.1422","","","","","","1.038","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520458","26.11","0.002","7.3243","0.0005","36.66","0.003","90","","110.593","0.005","90","","6562.8","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(E)-N-(2,4-difluorobenzylidene)-2,3,6-trifluoroaniline","(E)-N-(2,4-difluorobenzylidene)-2,3,6-trifluoroaniline","","- C13 H6 F5 N -","- C13 H6 F5 N -","- C312 H144 F120 N24 -","24","3","","Adler, Philip D. F.; Threlfall, Terence L.; Tizzard, Graham J.; Coles, Simon J.","C13H6F5N","Crystal Structure Report Archive","2010","","","1313","","","","","0.71073","MoKα","","0.2764","0.0746","","","0.0994","0.1446","","","","","","1.028","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520459","19.623","0.003","4.071","0.0005","32.979","0.004","90","","101.698","0.003","90","","2579.8","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C120 H96 Br8 N8 O16 -","8","1","","Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.","Bromo Oxindole","Crystal Structure Report Archive","2010","","","1323","","","","","0.71073","MoKα","","0.1204","0.0792","","","0.1462","0.1688","","","","","","1.124","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1520460","8.1168","0.0004","9.2556","0.0004","9.3927","0.0003","62.29","0.002","80.933","0.003","72.18","0.002","594.64","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O -","- C16 H13 N O -","- C32 H26 N2 O2 -","2","1","","Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.","Methyl oxindole","Crystal Structure Report Archive","2010","","","1324","","","","","0.71073","MoKα","","0.0924","0.0647","","","0.124","0.1419","","","","","","1.049","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520461","9.9484","0.0011","7.9134","0.001","16.013","0.002","90","","104.34","0.008","90","","1221.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C60 H40 N8 O12 -","4","1","","Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.","Nitro oxindole","Crystal Structure Report Archive","2010","","","1325","","","","","0.71073","MoKα","","0.1026","0.0623","","","0.1246","0.1497","","","","","","1.064","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520462","19.6553","0.0012","4.0406","0.0002","32.653","0.002","90","","101.378","0.002","90","","2542.3","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C120 H96 Cl8 N8 O16 -","8","1","","Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.","Chloro oxindole","Crystal Structure Report Archive","2010","","","1326","","","","","0.71073","MoKα","","0.0672","0.0485","","","0.1241","0.135","","","","","","1.081","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520463","4.1302","0.0002","12.9513","0.0009","13.0829","0.0009","62.708","0.003","86.495","0.004","86.546","0.004","620.35","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.","Methoxy oxindole","Crystal Structure Report Archive","2010","","","1327","","","","","0.71073","MoKα","","0.1415","0.0877","","","0.1398","0.1633","","","","","","1.116","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520464","13.3991","0.0005","8.2341","0.0003","22.8014","0.0008","90","","96.356","0.002","90","","2500.2","0.16","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","","Cadman, Christopher J.; Coles, Simon J.; Croft, Anna K.; Frey, Jeremy G.; Tizzard, Graham J.","8-(p-tolyl)naphthalen-1-ol","Crystal Structure Report Archive","2010","","","1343","","","","","0.71073","MoKα","","0.0821","0.0553","","","0.1463","0.1638","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520465","4.4884","0.0005","22.168","0.003","9.5284","0.0013","90","","90.048","0.007","90","","948.1","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-[4-(trifluoromethoxy)phenyl]acetamide","","- C9 H8 F3 N O2 -","- C9 H8 F3 N O2 -","- C36 H32 F12 N4 O8 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-[4-(trifluoromethoxy)phenyl]acetamide","Crystal Structure Report Archive","2010","","","1400","","","","","0.71073","MoKα","","0.0707","0.0517","","","0.1082","0.1211","","","","","","1.144","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520466","19.623","0.003","4.071","0.0005","32.979","0.004","90","","101.698","0.003","90","","2579.8","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C120 H96 Br8 N8 O16 -","8","1","","Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.","Bromo Oxindole","Crystal Structure Report Archive","2010","","","1505","","","","","0.71073","MoKα","","0.1204","0.0792","","","0.1462","0.1688","","","","","","1.124","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1520467","10.1895","0.001","11.4764","0.0016","17.763","0.003","102.487","0.005","96.931","0.008","101.36","0.008","1959.2","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","2","","Tizzard, Graham J.; Coles, Simon J.; Hursthouse, Michael B.; Holliman, Peter J.","C27H21N1O1","Crystal Structure Report Archive","2010","","","1251","","","","","0.71073","MoKα","","0.1912","0.1077","","","0.2145","0.255","","","","","","1.063","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520468","8.0079","0.0002","8.8634","0.0003","8.8643","0.0002","67.429","0.002","88.975","0.002","75.965","0.001","561.64","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H12 B5 N O10 -","- C3 H12 B5 N O10 -","- C6 H24 B10 N2 O20 -","2","1","","Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B.","C3H12B5NO10","Crystal Structure Report Archive","2010","","","1258","","","","","0.71073","MoKα","","0.0361","0.0317","","","0.0792","0.0821","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520469","9.4446","0.0004","13.9129","0.0007","10.333","0.0003","90","","92.517","0.003","90","","1356.46","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 B5 N O10 -","- C5 H16 B5 N O10 -","- C20 H64 B20 N4 O40 -","4","1","","Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B.","C5H16B5NO10","Crystal Structure Report Archive","2010","","","1259","","","","","0.71073","MoKα","","0.0665","0.0447","","","0.1078","0.1204","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520470","8.5959","0.0002","13.7519","0.0004","15.1599","0.0005","90","","92.572","0.002","90","","1790.25","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br Cl N2 O3 Re -","- C17 H15 Br Cl N2 O3 Re -","- C68 H60 Br4 Cl4 N8 O12 Re4 -","4","1","","Fletcher, Nicholas C.; Montgomery, Heather; Horton, Peter N.; Hursthouse, Michael B.","C17H15BrClN2O3Re","Crystal Structure Report Archive","2010","","","1260","","","","","0.71073","MoKα","","0.0441","0.0334","","","0.0734","0.0774","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520471","9.9242","0.0004","9.9428","0.0004","10.4323","0.0003","86.305","0.002","67.758","0.002","62.176","0.002","834.69","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cl2 P2 Pd -","- C40 H34 Cl2 P2 Pd -","- C40 H34 Cl2 P2 Pd -","1","0.5","","James, Stuart L.; Horton, Peter N.; Hursthouse, Michael B.","C40H34Cl2P2Pd","Crystal Structure Report Archive","2010","","","1262","","","","","0.71073","MoKα","","0.0531","0.0382","","","0.0799","0.0867","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520472","10.0905","0.0002","12.7583","0.0004","14.4492","0.0005","100.026","0.002","98.124","0.002","108.201","0.002","1701.6","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cl2 P2 Pt -","- C40 H34 Cl2 P2 Pt -","- C80 H68 Cl4 P4 Pt2 -","2","1","","James, Stuart L.; Horton, Peter N.; Hursthouse, Michael B.","C40H34Cl2P2Pt","Crystal Structure Report Archive","2010","","","1263","","","","","0.71073","MoKα","","0.0789","0.0585","","","0.1256","0.1378","","","","","","1.118","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520473","7.3738","0.0004","24.5405","0.0019","21.2954","0.0016","90","","97.475","0.004","90","","3820.8","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H20 Cl Fe N3 O2 -","- C20.5 H20 Cl Fe N3 O2 -","- C164 H160 Cl8 Fe8 N24 O16 -","8","2","","Tizzard, Graham J.; Coles, Simon J.; Spencer, John","Ferrocene compound C41H40Cl2Fe2N6O4","Crystal Structure Report Archive","2010","","","1276","","","","","0.71073","MoKα","","0.2152","0.1204","","","0.2096","0.2629","","","","","","1.084","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1520474","17.3279","0.0002","7.3648","0.0001","20.9885","0.0003","90","","90","","90","","2678.48","0.06","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Fe N2 -","- C16 H16 Fe N2 -","- C128 H128 Fe8 N16 -","8","1","","Tizzard, Graham J.; Coles, Simon J.; Spencer, John","Ferrocene complex C16H16FeN2","Crystal Structure Report Archive","2010","","","1277","","","","","0.71073","MoKα","","0.0386","0.0328","","","0.0773","0.0813","","","","","","1.068","","","","has coordinates","138995","2020-10-21","18:00:00",""
"1520475","6.9836","0.0001","13.2116","0.0002","12.0495","0.0002","90","","91.532","0.001","90","","1111.34","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H44 F6 N2 O2 Si -","- C16 H44 F6 N2 O2 Si -","- C32 H88 F12 N4 O4 Si2 -","2","0.5","","Horton, Peter N.; Hursthouse, Michael B.; Taylor, Peter G.","[(C8H20N)2(SiF6).2H2O]","Crystal Structure Report Archive","2010","","","1346","","","","","0.71073","MoKα","","0.0712","0.066","","","0.1537","0.1577","","","","","","1.299","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520476","6.5932","0.0003","7.409","0.0005","21.4824","0.0015","90","","90","","90","","1049.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H0 F3 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Threlfall, T.; Tizzard, G.; Ling, S.; Coles, S.","(E)-2,3,4-trifluoro-N-(4-fluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1428","","","","","0.71073","MoKα","","0.0676","0.0471","","","0.1392","0.1738","","","","","","0.685","","","","has coordinates","138997","2020-10-21","18:00:00",""
"1520477","7.1359","0.0012","15.247","0.002","20.576","0.003","87.348","0.007","90","","90","","2236.3","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H0 F5 N -","- C13 H6 F5 N -","- C104 H48 F40 N8 -","8","4","","Tizzard, G.; Ling, S.; Threlfall, T.; Coles, S.","(E)-3,5-difluoro-N-(3,4,5-trifluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1420","","","","","0.71073","MoKα","","0.2679","0.1037","","","0.2289","0.3234","","","","","","0.988","","","","has coordinates","138998","2020-10-21","18:00:00",""
"1520478","6.5581","0.0002","22.185","0.0006","7.3736","0.0003","90","","101.043","0.002","90","","1052.93","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H0 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Tizzard, G.; Ling, S.; Threlfall, T.; Coles, S.","(E)-4-fluoro-N-(2,3,4-trifluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1421","","","","","0.71073","MoKα","","0.0435","0.0384","","","0.1083","0.1138","","","","","","1.041","","","","has coordinates","138999","2020-10-21","18:00:00",""
"1520479","12.8476","0.0008","3.7474","0.0002","21.5262","0.0014","90","","97.291","0.003","90","","1028","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H0 F3 N -","- C13 H8 F3 N -","- C52 H32 F12 N4 -","4","1","","Tizzard, G.; Ling, S.; Threlfall, T.; Coles, S.","(E)-4-fluoro-N-(2,5-trifluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1422","","","","","0.71073","MoKα","","0.0668","0.0493","","","0.1216","0.1327","","","","","","1.032","","","","has coordinates","139000","2020-10-21","18:00:00",""
"1520480","6.2066","0.0003","7.7799","0.0004","21.3938","0.0011","90","","90","","90","","1033.04","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H0 F3 N -","- C13 H8 F3 N -","- C52 H32 F12 N4 -","4","1","","Tizzard, G.; Threlfall, T.; Ling, S.; Coles, S.","(E)-3,5-difluoro-N-(4-fluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1423","","","","","0.71073","MoKα","","0.0658","0.0551","","","0.1515","0.1655","","","","","","0.836","","","","has coordinates","139001","2020-10-21","18:00:00",""
"1520481","6.3923","0.0012","7.4769","0.001","21.635","0.004","90","","90.03","0.007","90","","1034","0.3","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H0 F3 N -","- C13 H8 F3 N -","- C52 H32 F12 N4 -","4","4","","Tizzard, G.; Threlfall, T.; Ling, S.; Coles, S.","(E)-2,4-difluoro-N-(4-fluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1426","","","","","0.71073","MoKα","","0.2783","0.0935","","","0.2229","0.3505","","","","","","0.856","","","","has coordinates","139002","2020-10-21","18:00:00",""
"1520482","3.6878","0.0003","48.796","0.004","12.4014","0.0012","90","","98.55","","90","","2206.8","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H0 F5 N -","- C13 H6 F5 N -","- C104 H48 F40 N8 -","8","2","","Tizzard, G.; Threlfall, T.; Ling, S.; Coles, S.","(E)-2,4,6-trifluoro-N-(2,3-difluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1427","","","","","0.71073","MoKα","","0.1712","0.0863","","","0.1547","0.1939","","","","","","1.022","","","","has coordinates","139003","2020-10-21","18:00:00",""