# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T16:03:34+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'IUCrJ') AND volume = 3 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
"1543220","9.991","0.003","14.1075","0.0015","15.656","0.004","90","","102","0.02","90","","2158.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-bromo-4'-nitro-biphenyl","","","- C12 H8 Br N O2 -","- C12 H8 Br N O2 -","- C96 H64 Br8 N8 O16 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.3055","0.0853","","","0.1336","0.1815","","","","","","0.999","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543221","9.971","0.003","14.1307","0.0015","15.65","0.004","90","","101.71","0.02","90","","2159.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-bromo-4'-nitro-biphenyl","","","- C12 H8 Br N O2 -","- C12 H8 Br N O2 -","- C96 H64 Br8 N8 O16 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.3217","0.0918","","","0.1083","0.1552","","","","","","0.967","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543222","9.6028","0.0009","14.6523","0.0009","15.5726","0.0016","90","","97.34","0.008","90","","2173.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-bromo-4'-cyano-biphenyl","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.208","0.067","","","0.1314","0.184","","","","","","0.966","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543223","9.5964","0.0009","14.6438","0.0008","15.5585","0.0015","90","","97.429","0.008","90","","2168","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-bromo-4'-cyano-biphenyl","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.2336","0.0708","","","0.127","0.1844","","","","","","0.978","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543412","13.2563","0.0002","13.2563","0.0002","27.5616","0.0007","90","","90","","90","","4843.39","0.16","30","5","30","5","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C45 H32 Cu2 I2 N4 S1.95 -","- C45 H32 Cu2 I2 N4 S1.906 -","- C180 H128 Cu8 I8 N16 S7.624 -","4","0.125","ED5008","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.6899","synchrotron","","0.062","0.0372","","","0.0892","0.0981","","","","","","0.752","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543413","26.7176","0.0005","26.7176","0.0005","7.1942","0.0002","90","","90","","90","","5135.4","0.2","250","2","250","2","","","","","","","","6","P -4","P -4","81","","","","- C45 H32 Cu1.88 I1.88 N4 S3 -","- C45 H32 Cu1.8762 I1.8762 N4 S2.991 -","- C180 H128 Cu7.5048 I7.5048 N16 S11.964 -","4","1","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.0866","0.0675","","","0.208","0.2346","","","","","","1.013","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543414","26.8758","0.0004","26.8758","0.0004","7.1689","0.0001","90","","90","","90","","5178.16","0.13","300","2","300","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.88 I1.88 N4 S3.01 -","- C45 H32 Cu1.88 I1.88 N4 S3.012 -","- C180 H128 Cu7.52 I7.52 N16 S12.048 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.0441","0.0389","","","0.1115","0.1182","","","","","","1.079","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543415","26.8987","0.0005","26.8987","0.0005","7.1788","0.0001","90","","90","","90","","5194.15","0.15","350","2","350","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.88 I1.88 N4 S3.01 -","- C45 H32 Cu1.8762 I1.8762 N4 S3.012 -","- C180 H128 Cu7.5048 I7.5048 N16 S12.048 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.046","0.0412","","","0.1146","0.1203","","","","","","1.053","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543416","26.8664","0.0004","26.8664","0.0004","7.1717","0.0001","90","","90","","90","","5176.56","0.13","300","2","300","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.85 I1.85 N4 S3 -","- C45 H32 Cu1.848 I1.848 N4 S3.008 -","- C180 H128 Cu7.392 I7.392 N16 S12.032 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.7","synchrotron","","0.0453","0.0356","","","0.0974","0.1048","","","","","","0.993","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543858","9.6246","0.0007","5.2079","0.0004","43.103","0.003","90","","100.201","0.002","90","","2126.3","0.3","190","2","190","2","","","","","","","","4","I 1 2 1","I 2y","5","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","ED5010","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0475","0.039","","","0.101","0.105","","","","","","1.065","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543859","9.6176","0.0009","5.2126","0.0005","21.768","0.002","90","","101.123","0.003","90","","1070.79","0.17","215","2","215","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","4","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0523","0.038","","","0.0861","0.0922","","","","","","1.075","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543860","9.6132","0.0006","5.2239","0.0003","22.4134","0.0016","90","","101.453","0.002","90","","1103.15","0.12","330","2","330","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","4","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1134","0.0772","","","0.1649","0.1893","","","","","","1.082","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543861","9.6233","0.0012","5.2274","0.0006","22.877","0.003","90","","100.764","0.004","90","","1130.6","0.2","365","2","365","2","","","","","","","","4","C 1 2 1","C 2y","5","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0735","0.0473","","","0.0933","0.1028","","","","","","1.167","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543862","9.6123","0.0015","5.1222","0.0009","13.183","0.002","90","","98.609","0.005","90","","641.77","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0652","0.0509","","","0.1002","0.1064","","","","","","1.062","","","","has coordinates","185715","2020-10-21","18:00:00",""
"1543863","9.604","0.003","5.1222","0.0016","13.352","0.004","90","","97.137","0.007","90","","651.7","0.3","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0978","0.0521","","","0.1014","0.1167","","","","","","1.044","","","","has coordinates","185715","2020-10-21","18:00:00",""
"1543864","9.5868","0.0008","5.156","0.0004","27.477","0.003","90","","93.203","0.003","90","","1356.1","0.2","220","2","220","2","","","","","","","","4","I 1 2 1","I 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C4.998 H10.996 N O2 -","- C39.984 H87.968 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.059","0.0441","","","0.1038","0.1097","","","","","","1.106","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543865","9.5855","0.0015","5.1752","0.0009","27.959","0.005","90","","92.057","0.005","90","","1386.1","0.4","270","2","270","2","","","","","","","","4","I 1 2 1","I 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C40 H88 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0882","0.0519","","","0.1208","0.1354","","","","","","1.088","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543866","9.589","0.004","5.2054","0.0019","14.698","0.007","90","","104.77","0.005","90","","709.4","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0535","0.0388","","","0.1034","0.1154","","","","","","1.095","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543867","28.516","0.005","5.2346","0.001","32.233","0.006","90","","116.25","","90","","4315.2","1.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C144 H312 N24 O48 -","24","6","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1912","0.0813","","","0.1712","0.2193","","","","","","1.026","","","","has coordinates","185715","2020-10-21","18:00:00",""
"1543868","9.5327","0.0007","5.2545","0.0004","14.959","0.001","90","","97.628","0.002","90","","742.66","0.09","210","2","210","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0486","0.0362","","","0.0747","0.0785","","","","","","1.122","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543869","9.5633","0.0015","5.2287","0.0009","15.674","0.003","90","","93.695","0.005","90","","782.1","0.2","330","2","330","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0911","0.051","","","0.1148","0.1294","","","","","","1.1","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543870","9.6033","0.0015","5.2223","0.0008","15.983","0.003","90","","90.916","0.005","90","","801.5","0.2","380","2","380","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1703","0.0708","","","0.1572","0.1885","","","","","","1.092","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543871","9.648","0.009","5.252","0.005","16.561","0.016","90","","103.11","0.02","90","","817.3","1.3","405","2","405","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.2466","0.0974","","","0.1571","0.2054","","","","","","1.081","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543872","9.5118","0.0006","5.1936","0.0004","15.3419","0.001","90","","97.635","0.002","90","","751.18","0.09","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C4.998 H10.996 N O2 S0.9995 -","- C19.992 H43.984 N4 O8 S3.998 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0625","0.0466","","","0.1098","0.1179","","","","","","1.046","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543873","9.5473","0.0006","5.183","0.0003","15.583","0.001","90","","94.98","0.002","90","","768.19","0.08","320","2","320","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C4.996 H10.992 N O2 S0.999 -","- C19.984 H43.968 N4 O8 S3.996 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0999","0.0657","","","0.1694","0.1887","","","","","","1.073","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543874","9.588","0.004","5.203","0.002","16.101","0.007","90","","99.869","0.013","90","","791.3","0.6","405","2","405","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C5.06 H11.12 N O2 S1.015 -","- C20.24 H44.48 N4 O8 S4.06 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1753","0.1166","","","0.2624","0.2928","","","","","","1.16","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543899","6.0287","0.0001","6.0287","0.0001","7.7803","0.0002","90","","90","","90","","282.777","0.01","293","2","293","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cr2 Cu O4 -","- Cr2 Cu O4 -","- Cr8 Cu4 O16 -","4","0.125","","Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele","Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~","IUCrJ","2016","3","5","","","10.1107/S2052252516012574","","","0.71073","MoKα","","0.0291","0.025","","","0.064","0.0658","","","","","","1.087","","","","has coordinates","185841","2020-10-21","18:00:00",""
"1543900","8.3288","0.0001","8.3288","0.0001","8.3288","0.0001","90","","90","","90","","577.76","0.012","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr16 Mg8 O32 -","8","0.0416667","","Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele","Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~","IUCrJ","2016","3","5","","","10.1107/S2052252516012574","","","0.71073","MoKα","","0.0176","0.0171","","","0.0469","0.047","","","","","","1.169","","","","has coordinates","185841","2020-10-21","18:00:00",""
"1543918","25.058","0.005","14.038","0.003","18.102","0.004","90","","97.313","0.003","90","","6316","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0577","0.0392","","","0.1088","0.1215","","","","","","1.049","","","","has coordinates,has disorder","185884","2020-10-21","18:00:00",""
"1543919","24.7872","0.0011","13.8653","0.0008","17.7857","0.0013","90","","97.493","0.004","90","","6060.4","0.6","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0741","0.0557","","","0.194","0.2302","","","","","","1.117","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543920","24.641","0.004","13.7018","0.0006","17.5317","0.0009","90","","97.572","0.008","90","","5867.5","1","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0758","0.0549","","","0.1573","0.1891","","","","","","1.149","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543921","24.29","0.005","13.584","0.003","17.379","0.004","90","","98.51","0.03","90","","5671","2","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0712","0.0466","","","0.1342","0.1748","","","","","","1.187","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543922","24.215","0.005","13.516","0.003","17.266","0.004","90","","98.7","0.03","90","","5586","2","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0484","0.0408","","","0.126","0.1336","","","","","","1.097","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543923","23.765","0.005","13.396","0.003","16.789","0.003","90","","99.58","0.03","90","","5270.3","1.9","293","0.14","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","2","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.083","0.0564","","","0.165","0.2026","","","","","","1.107","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543924","26.529","0.005","13.396","0.003","31.094","0.006","90","","110.11","0.03","90","","10377","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H41.75 Au3 N9 -","- C384 H668 Au48 N144 -","16","4","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.1853","0.132","","","0.2568","0.2903","","","","","","1.098","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543925","37.163","0.007","13.417","0.003","30.421","0.006","90","","88.48","0.03","90","","15163","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C576 H1008 Au72 N216 -","24","3","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.072","0.0495","","","0.1434","0.1723","","","","","","1.055","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543926","23.3975","0.0014","13.301","0.0011","16.1373","0.0015","90","","99.901","0.006","90","","4947.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C48 H83 Au6 N18 -","- C48 H83 Au6 N18 -","- C192 H332 Au24 N72 -","4","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.1036","0.0693","","","0.194","0.2246","","","","","","1.349","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543927","24.316","0.004","14.341","0.002","20.951","0.005","90","","121.105","0.002","90","","6256","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0438","0.0346","","","0.0895","0.0949","","","","","","1.033","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543928","23.7794","0.0013","14.0552","0.0006","20.087","0.002","90","","121.333","0.01","90","","5734.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0744","0.0481","","","0.1248","0.1542","","","","","","1.156","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543929","23.6575","0.0013","13.9552","0.0006","19.838","0.004","90","","121.445","0.006","90","","5587.6","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0622","0.0383","","","0.1004","0.1204","","","","","","1.052","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543930","23.5723","0.0013","13.8758","0.0006","19.647","0.004","90","","121.589","0.006","90","","5474","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0652","0.0432","","","0.1146","0.1362","","","","","","0.943","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543931","23.4383","0.0014","13.7533","0.0006","19.341","0.004","90","","121.812","0.006","90","","5298.1","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.073","0.0519","","","0.1354","0.154","","","","","","1.036","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543932","23.4449","0.0014","13.6963","0.0007","19.285","0.002","90","","121.92","0.01","90","","5256.2","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.1071","0.0672","","","0.1703","0.2299","","","","","","1.095","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543933","23.364","0.0012","13.6258","0.0007","19.112","0.002","90","","122.08","0.009","90","","5155.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0783","0.054","","","0.1209","0.1405","","","","","","1.073","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543934","23.3195","0.001","13.5632","0.0007","18.951","0.003","90","","122.188","0.007","90","","5072.7","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0996","0.0611","","","0.1463","0.2107","","","","","","1.133","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1544208","15.97714","0.00005","15.97714","0.00005","5.581157","0.000002","90","","90","","120","","1233.82","0.005","","","90","","","","","","","","","2","R -3 :H","-R 3","148","","","Benzene:ethane co-crystal","- C20 H24 -","- C20 H24 -","- C60 H72 -","3","0.166667","","Maynard-Casely, H.E.; Hodyss, R.; Cable, M.L.; Vu, T.H.; Rahm, M.","A co-crystal between benzene and ethane, an potential evaporite material for Saturn's moon Titan","IuCrJ","2016","3","","192","199","10.1107/S2052252516002815","","","0.826","synchrotron","","","","","","","","","","","","","","","","","has coordinates","197618","2020-10-21","18:00:00",""
"1544300","9.2584","0.0018","12.936","0.002","15.764","0.003","90","","90","","90","","1888","0.6","100","2","100","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C12 H8 N2 -","- C12 H8 N2 -","- C96 H64 N16 -","8","0.25","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1183","0.0812","","","0.2058","0.2284","","","","","","1.144","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544301","22.1029","0.0005","5.6277","0.0001","7.5548","0.0002","90","","99.707","0.001","90","","926.28","0.04","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 -","- C26 H18 N2 -","- C52 H36 N4 -","2","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.0548","0.0464","","","0.1436","0.1519","","","","","","1.098","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544302","17.7436","0.0016","10.851","0.0011","7.5217","0.0007","90","","90","","90","","1448.2","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.1506","0.0685","","","0.1328","0.1629","","","","","","1.011","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544303","14.957","0.003","4.8702","0.0009","11.199","0.002","90","","103.719","0.005","90","","792.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1676","0.0784","","","0.1254","0.1498","","","","","","1.07","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544304","7.7923","0.0009","7.9651","0.0009","8.4455","0.001","102.627","0.003","95.961","0.003","114.174","0.003","455.51","0.09","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1665","0.1018","","","0.1549","0.1736","","","","","","1.134","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544305","21.105","0.004","6.5848","0.0011","11.241","0.002","90","","90","","90","","1562.2","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H20 N2 O0 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1286","0.0745","","","0.1295","0.1467","","","","","","1.065","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544306","7.4431","0.0004","3.9111","0.0002","22.7679","0.0012","90","","99.239","0.004","90","","654.19","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.1322","0.0888","","","0.182","0.2074","","","","","","1.066","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544307","38.9915","0.0011","6.9971","0.0002","29.1584","0.0009","90","","130.424","0.002","90","","6056","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N9 O2.75 -","- C12 H12 N9 O2.75 -","- C192 H192 N144 O44 -","16","2","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.0744","0.0536","","","0.1288","0.1407","","","","","","1.036","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545809","7.8566","0.0012","21.336","0.004","8.3872","0.0017","90","","90.911","0.011","90","","1405.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C64 H72 N8 O8 -","2","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0612","0.0561","","","0.1643","0.1744","","","","","","1.092","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545810","7.7971","0.0014","22.217","0.005","7.9179","0.0015","90","","91.479","0.015","90","","1371.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O4 S2 -","- C30 H34 N2 O4 S2 -","- C60 H68 N4 O8 S4 -","2","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0589","0.0533","","","0.1565","0.168","","","","","","1.087","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545811","7.409","0.01","8.781","0.011","15.36","0.019","81.63","0.03","86.57","0.03","78.64","0.02","969","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H49 N5 O4 -","- C43 H49 N5 O4 -","- C43 H49 N5 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.1435","0.0803","","","0.1939","0.2501","","","","","","0.933","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545812","7.5571","0.0007","24.125","0.002","12.9363","0.0013","90","","92.034","0.004","90","","2357","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C116 H120 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.085","0.0678","","","0.1859","0.205","","","","","","1.175","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545813","8.292","0.006","20.615","0.015","8.47","0.006","90","","92.435","0.007","90","","1446.6","1.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 N2 O4 -","- C34 H38 N2 O4 -","- C68 H76 N4 O8 -","2","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0807","0.0652","","","0.1946","0.2143","","","","","","1.072","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545814","7.485","0.006","8.797","0.007","14.171","0.012","96.618","0.013","93.306","0.012","91.826","0.014","924.6","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N6 O4 -","- C44 H46 N6 O4 -","- C44 H46 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0542","0.0486","","","0.1495","0.1632","","","","","","1.093","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545815","7.492","0.005","9.069","0.006","13.643","0.01","98.069","0.013","92.516","0.006","91.428","0.008","916.5","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N4 O4 S2 -","- C42 H44 N4 O4 S2 -","- C42 H44 N4 O4 S2 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0526","0.0479","","","0.1317","0.1459","","","","","","1.087","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545816","7.3795","0.001","8.8871","0.0013","29.533","0.005","89.495","0.017","84.054","0.016","85.281","0.01","1919.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H96 N10 O8 -","- C90 H96 N10 O8 -","- C90 H96 N10 O8 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.1001","0.0688","","","0.1879","0.2293","","","","","","1.093","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545817","7.478","0.012","8.739","0.014","23.37","0.03","92.36","0.03","90.29","0.03","93.131","0.019","1524","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H73 N8 O6 -","- C75 H73 N8 O6 -","- C75 H73 N8 O6 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.1271","0.0922","","","0.2642","0.3001","","","","","","1.011","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545818","7.528","0.011","8.948","0.014","14.11","0.02","96.219","0.017","94.61","0.02","90.598","0.013","942","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O4 -","- C46 H48 N4 O4 -","- C46 H48 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0611","0.0511","","","0.1489","0.1668","","","","","","1.06","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545819","7.4957","0.0013","8.7882","0.0017","14.308","0.003","97.049","0.011","94.334","0.013","91.781","0.01","931.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H48 N6 O4 -","- C44 H48 N6 O4 -","- C44 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.065","0.0565","","","0.1589","0.1813","","","","","","1.115","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545820","7.531","0.009","9.026","0.012","13.941","0.017","98.18","0.02","92.03","0.03","91.235","0.012","937","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N4 O4 S2 -","- C42 H46 N4 O4 S2 -","- C42 H46 N4 O4 S2 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0929","0.0823","","","0.2705","0.2817","","","","","","1.156","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545821","7.4611","0.0003","8.7285","0.0004","23.6219","0.001","92.85","0.001","91.347","0.001","93.317","0.001","1533.34","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H75 N8 O6 -","- C75 H75 N8 O6 -","- C75 H75 N8 O6 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0627","0.0552","","","0.1315","0.1356","","","","","","1.091","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545822","7.4709","0.0003","8.7326","0.0003","23.6381","0.0009","92.857","0.001","91.317","0.001","93.293","0.001","1537.18","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H79 N8 O5 -","- C77.0006 H79.0018 N8 O5 -","- C77.0006 H79.0018 N8 O5 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0892","0.0593","","","0.1473","0.1643","","","","","","1.031","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545823","7.4914","0.0003","8.8265","0.0004","23.583","0.001","92.722","0.001","92.976","0.001","91.626","0.001","1554.77","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H77 N6 O6 -","- C77 H77 N6 O6 -","- C77 H77 N6 O6 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0917","0.0545","","","0.1472","0.1641","","","","","","1.059","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545824","7.5407","0.0012","8.9198","0.0013","14.284","0.003","96.506","0.007","96.093","0.01","90.634","0.01","948.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0641","0.0546","","","0.1518","0.1686","","","","","","1.103","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545825","8.356","0.004","24.894","0.012","11.744","0.006","90","","96.324","0.006","90","","2428","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 N2 O2 -","- C27 H38 N2 O2 -","- C108 H152 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0942","0.068","","","0.195","0.2218","","","","","","1.092","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545826","7.546","0.0009","9.4647","0.0016","14.8318","0.0019","85.58","0.02","77.14","0.02","86.77","0.03","1028.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N4 O4 -","- C50 H52 N4 O4 -","- C50 H52 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0919","0.0624","","","0.1955","0.2346","","","","","","0.931","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545827","7.324","0.007","8.723","0.008","15.107","0.014","82.27","0.03","88.73","0.03","78.76","0.02","938","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H48 N6 O4 -","- C42 H48 N6 O4 -","- C42 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0973","0.0653","","","0.1749","0.2126","","","","","","1.087","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545828","8.0059","0.0006","24.903","0.002","12.0892","0.0009","90","","91.065","0.003","90","","2409.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C124 H120 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0756","0.0637","","","0.1756","0.1893","","","","","","1.096","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545829","7.195","0.007","8.865","0.008","15.981","0.015","80.52","0.03","84.2","0.03","79.19","0.02","985","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 N4 O4 -","- C44 H50 N4 O4 -","- C44 H50 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0721","0.0627","","","0.1763","0.1968","","","","","","1.072","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545830","4.9138","0.0004","33.192","0.003","8.3659","0.0007","90","","99.52","0.001","90","","1345.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ACETAZOLAMIDE;2 PYRIDONE","","","- C9 H11 N5 O4 S2 -","- C9 H11 N5 O4 S2 -","- C36 H44 N20 O16 S8 -","4","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","0.71073","MoKα","","0.0483","0.0381","","","0.097","0.1011","","","","","","1.047","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545831","6.8501","0.0003","11.3563","0.0006","12.3387","0.0008","82.288","0.005","81.856","0.004","75.804","0.004","916.19","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE;2 PYRIDONE","","","- C14 H16 N6 O5 S2 -","- C14 H16 N6 O5 S2 -","- C28 H32 N12 O10 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0668","0.0647","","","0.1674","0.1707","","","","","","1.032","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545832","4.9969","0.0002","11.6983","0.0006","14.6244","0.0008","70.868","0.005","81.892","0.004","80.262","0.004","792.65","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE; CAPROLACTAM; HYDRATE","","","- C10 H19 N5 O5 S2 -","- C10 H19 N5 O5 S2 -","- C20 H38 N10 O10 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0393","0.0378","","","0.1091","0.1109","","","","","","1.078","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545833","52.62","0.03","4.816","0.002","17.814","0.009","90","","106.785","0.013","90","","4322","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ACETAZOLAMIDE;DMSO","","","- C5 H9 N4 O3.5 S2.5 -","- C5 H9 N4 O3.5 S2.5 -","- C80 H144 N64 O56 S40 -","16","2","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","0.71073","MoKα","","0.0433","0.038","","","0.0971","0.1005","","","","","","1.04","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545834","11.3972","0.0007","18.1641","0.0003","10.338","0.003","90","","97.046","0.016","90","","2124","0.6","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","ACETAZOLAMIDE;6 Me 2 PYRIDONE","","","- C10 H13 N5 O4 S2 -","- C10 H13 N5 O4 S2 -","- C60 H78 N30 O24 S12 -","6","3","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0423","0.0397","","","0.1037","0.1071","","","","","","1.022","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545835","5.1477","0.0008","10.8147","0.0014","14.2604","0.0016","69.797","0.011","85.463","0.012","81.889","0.012","737.2","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE;NICOTINAMIDE","","","- C10 H12 N6 O4 S2 -","- C10 H12 N6 O4 S2 -","- C20 H24 N12 O8 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0819","0.0626","","","0.1722","0.1935","","","","","","1.006","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545836","7.0347","0.0003","10.2539","0.0007","13.7934","0.0009","81.685","0.006","83.028","0.005","88.283","0.005","977.14","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE;NICOTINAMIDE; 2 PYRIDONE","","","- C15 H17 N7 O5 S2 -","- C15 H17 N7 O5 S2 -","- C30 H34 N14 O10 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0651","0.0612","","","0.1729","0.1789","","","","","","1.083","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545837","7.7872","0.0006","10.213","0.0007","10.2464","0.0007","88.192","0.005","76.587","0.006","77.996","0.006","775.22","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE; 3 OME 2 PYRIDONE","","","- C10 H15 N5 O6 S2 -","- C10 H15 N5 O6 S2 -","- C20 H30 N10 O12 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0539","0.0496","","","0.1357","0.1413","","","","","","1.06","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545838","9.66166","0.00019","23.4685","0.0004","8.84352","0.00017","90","","100.773","0.0019","90","","1969.88","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACETAZOLAMIDE; VALEROLACTAM","","","- C14 H24 N6 O5 S2 -","- C14 H24 N6 O5 S2 -","- C56 H96 N24 O20 S8 -","4","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0478","0.0426","","","0.1215","0.1264","","","","","","1.077","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545839","8.8712","0.0008","10.1819","0.0009","11.2862","0.001","114.633","0.008","93.749","0.007","101","0.007","897.56","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N6 O4 -","- C38 H52 N6 O4 -","- C38 H52 N6 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0509","0.0434","","","0.1172","0.124","","","","","","1.072","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545840","15.533","0.007","8.564","0.004","21.8","0.01","90","","93.873","0.007","90","","2893","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C120 H160 N16 O17 -","- C120 H160 N16 O17 -","- C120 H160 N16 O17 -","1","0.125","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0619","0.0513","","","0.1377","0.1454","","","","","","1.045","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545841","15.6084","0.0008","13.4786","0.0007","17.2209","0.0009","90","","90.2","0.002","90","","3622.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N6 O6 -","- C36 H48 N6 O6 -","- C144 H192 N24 O24 -","4","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0757","0.0534","","","0.1812","0.2107","","","","","","0.845","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545842","9.0005","0.0008","10.0381","0.0009","14.4894","0.0013","108.432","0.008","101.78","0.007","90.484","0.006","1212","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H56 N4 O4 -","- C64 H56 N4 O4 -","- C64 H56 N4 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0686","0.0502","","","0.1263","0.1376","","","","","","1.031","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545843","8.9943","0.0015","9.5169","0.0016","14.927","0.003","74.162","0.005","77.589","0.005","89.115","0.006","1199.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N3 O2 -","- C29 H31 N3 O2 -","- C58 H62 N6 O4 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0801","0.0555","","","0.1406","0.1537","","","","","","1.053","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545844","9.034","0.002","9.889","0.002","14.505","0.004","107.761","0.008","101.019","0.007","91.432","0.006","1206.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H54 N6 O4 -","- C62 H54 N6 O4 -","- C62 H54 N6 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0956","0.0593","","","0.145","0.1634","","","","","","1.026","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545845","8.6332","0.0013","9.0194","0.0014","14.869","0.002","105.2","0.004","91.263","0.004","91.519","0.004","1116.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 N6 O6 -","- C54 H54 N6 O6 -","- C54 H54 N6 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1669","0.0881","","","0.247","0.2749","","","","","","0.989","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545846","7.812","0.009","8.763","0.01","14.3","0.016","95.009","0.014","95.415","0.011","101.04","0.02","950.9","1.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 N6 O6 -","- C44 H44 N6 O6 -","- C44 H44 N6 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0637","0.0518","","","0.1519","0.1708","","","","","","1.108","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545847","10.151","0.0011","11.2084","0.0012","12.3363","0.0013","102.012","0.003","105.153","0.003","112.368","0.003","1176.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H56 N6 O8 -","- C56 H56 N6 O8 -","- C56 H56 N6 O8 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1121","0.1045","","","0.4103","0.4122","","","","","","1.193","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545848","8.662","0.002","10.289","0.003","11.523","0.003","65.003","0.005","76.93","0.005","80.277","0.006","903.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N4 O4 S2 -","- C38 H46 N4 O4 S2 -","- C38 H46 N4 O4 S2 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1058","0.0725","","","0.1807","0.2011","","","","","","1.052","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545849","8.971","0.004","10.078","0.004","11.666","0.005","109.665","0.008","94.353","0.007","90.742","0.007","989.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N2 O2 -","- C24 H23 N2 O2 -","- C48 H46 N4 O4 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.224","0.0953","","","0.2195","0.276","","","","","","0.967","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545850","11.4579","0.0012","11.8325","0.0013","14.9792","0.0016","90","","107.229","0.007","90","","1939.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 N4 O4 -","- C42 H58 N4 O4 -","- C84 H116 N8 O8 -","2","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0785","0.0551","","","0.14","0.1532","","","","","","1.021","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545851","8.983","0.006","12.712","0.009","17.561","0.012","89.485","0.009","76.291","0.009","82.933","0.01","1933","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 N6 O4 -","- C46 H44 N6 O4 -","- C92 H88 N12 O8 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.113","0.0656","","","0.1654","0.1919","","","","","","1.02","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545852","8.778","0.002","10.491","0.002","12.095","0.003","66.387","0.005","81.548","0.006","69.631","0.005","956.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N3 O2 -","- C23 H22 N3 O2 -","- C46 H44 N6 O4 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0959","0.0597","","","0.1388","0.1559","","","","","","1.031","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545853","8.921","0.005","10.723","0.006","10.954","0.006","67.417","0.01","81.183","0.009","78.367","0.008","944.3","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1212","0.0736","","","0.187","0.209","","","","","","1.072","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545854","8.284","0.011","8.564","0.012","14.6","0.02","78.65","0.05","87.26","0.06","64.4","0.04","915","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N6 O6 -","- C40 H48 N6 O6 -","- C40 H48 N6 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1038","0.0744","","","0.2246","0.2453","","","","","","1.139","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545855","9.012","0.007","11.241","0.008","18.355","0.013","94.296","0.013","93.207","0.011","92.248","0.006","1850","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 N6 O6 -","- C44 H40 N6 O6 -","- C88 H80 N12 O12 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0785","0.0661","","","0.1803","0.2043","","","","","","1.07","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545856","7.576","0.005","9.081","0.006","16.503","0.011","96.651","0.013","90.601","0.011","91.433","0.008","1127.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H48 N8 O6 -","- C56 H48 N8 O6 -","- C56 H48 N8 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0643","0.0562","","","0.155","0.1707","","","","","","1.068","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545857","8.876","0.004","11.941","0.006","17.98","0.009","90","","97.072","0.004","90","","1891.2","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N4 O6 -","- C44 H46 N4 O6 -","- C88 H92 N8 O12 -","2","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0542","0.0486","","","0.1402","0.153","","","","","","1.104","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545858","34.376","0.0007","15.0832","0.0003","29.6413","0.0009","90","","100.675","0.002","90","","15103","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H84 I6 N12 Zn3 -","- C66 H84 I6 N12 Zn3 -","- C528 H672 I48 N96 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.063","0.0547","","","0.1515","0.1588","","","","","","1.053","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545859","35.0725","0.0006","14.8911","0.0003","30.9658","0.0006","90","","101.956","0.002","90","","15821.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73.5 H78.76 I6 N12 Zn3 -","- C73.5 H78.768 I6 N12 Zn3 -","- C588 H630.144 I48 N96 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0412","0.0379","","","0.1007","0.1035","","","","","","1.056","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545860","32.8072","0.0002","14.9123","0.0001","34.9062","0.0002","90","","105.822","0.001","90","","16430.2","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C285 H317 I24 N48 O15 Zn12 -","- C285 H317 I24 N48 O15 Zn12 -","- C570 H634 I48 N96 O30 Zn24 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0331","0.0312","","","0.0769","0.0781","","","","","","1.02","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545861","34.4746","0.0008","15.0255","0.0003","30.1535","0.0009","90","","99.681","0.002","90","","15397","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.47 H64.79 I6.01 N12 O4.06 Zn3 -","- C61.476 H64.792 I6 N12 O4.064 Zn3 -","- C491.808 H518.336 I48 N96 O32.512 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0877","0.0808","","","0.2051","0.2136","","","","","","1.197","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545862","34.1414","0.0019","14.5641","0.0005","34.9597","0.0014","90","","108.633","0.005","90","","16472.2","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 I6 N12 O10.5 Zn3 -","- C75 H72 I6 N12 O10.5 Zn3 -","- C600 H576 I48 N96 O84 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0993","0.0768","","","0.1612","0.173","","","","","","1.091","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545863","34.9043","0.0009","14.955","0.0002","30.3469","0.0008","90","","100.074","0.002","90","","15596.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H66 I6 N12 O9 Zn3 -","- C67 H66 I6 N12 O9 Zn3 -","- C536 H528 I48 N96 O72 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0755","0.0536","","","0.1382","0.1545","","","","","","1.033","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545864","36.8116","0.001","14.6974","0.0003","30.6993","0.0008","90","","103.07","0.002","90","","16179.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69.69 H80.8 I6 N14.11 Zn3 -","- C69.678 H80.791 I6 N14.113 Zn3 -","- C557.424 H646.328 I48 N112.904 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0701","0.0653","","","0.1515","0.1541","","","","","","1.128","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545865","32.5791","0.0008","15.2458","0.0003","29.0346","0.0009","90","","98.398","0.002","90","","14266.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58.32 H48.8 I6 N14.2 O6.61 Zn3 -","- C58.316 H48.796 I6 N14.204 O6.612 Zn3 -","- C466.528 H390.368 I48 N113.632 O52.896 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0779","0.0667","","","0.1959","0.2061","","","","","","1.09","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545866","35.1288","0.0012","14.767","0.0004","30.8649","0.0011","90","","101.432","0.003","90","","15693.4","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64.44 H65.6 I6 N12 O1.48 Zn3 -","- C64.425 H65.59 I6 N12 O1.477 Zn3 -","- C515.4 H524.72 I48 N96 O11.816 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0517","0.0416","","","0.1136","0.1216","","","","","","1.044","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545867","14.8292","0.0006","17.9234","0.0007","29.9062","0.0008","96.836","0.003","93.529","0.003","110.142","0.004","7364.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120.9 H108 I11.99 N24 O12.59 Zn5.99 -","- C120.876 H108 I11.992 N24 O12.584 Zn5.996 -","- C241.752 H216 I23.984 N48 O25.168 Zn11.992 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.1572","0.1296","","","0.4157","0.439","","","","","","1.574","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545868","14.8303","0.0005","17.913","0.0008","29.8943","0.0008","96.803","0.003","93.488","0.003","110.229","0.004","7355","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H113.6 I12 N24 O12.14 Zn6 -","- C123 H113.592 I12 N24 O12.136 Zn6 -","- C246 H227.184 I24 N48 O24.272 Zn12 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0983","0.053","","","0.1189","0.1308","","","","","","0.866","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545869","14.8303","0.0005","17.913","0.0008","29.8943","0.0008","96.803","0.003","93.488","0.003","110.229","0.004","7355","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H112.85 I11.99 N24 O12.39 Zn5.99 -","- C123 H112.848 I11.99 N24 O12.384 Zn5.995 -","- C246 H225.696 I23.98 N48 O24.768 Zn11.99 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.098","0.0546","","","0.1247","0.1379","","","","","","0.866","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545870","35.8691","0.0014","14.8864","0.0003","31.2823","0.0009","90","","102.711","0.004","90","","16294.2","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71.25 H57.96 Br1.92 I6 N12 Zn3 -","- C71.25 H57.963 Br1.923 I6 N12 Zn3 -","- C570 H463.704 Br15.384 I48 N96 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0915","0.0752","","","0.2182","0.2359","","","","","","1.038","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545871","34.0465","0.0014","14.9235","0.0004","30.8377","0.0013","90","","100.629","0.004","90","","15399.6","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.92 H58.15 I6 N12 O5.89 Zn3 -","- C60.922 H58.156 I6 N12 O5.883 Zn3 -","- C487.376 H465.248 I48 N96 O47.064 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.1046","0.0733","","","0.2113","0.2397","","","","","","1.038","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1556808","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","373","2","373.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0213","0.0206","","","0.0773","0.078","","","2.62","","","1.159","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556809","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","373","2","373.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0194","0.0179","","","0.0638","0.0654","","","2.62","","","1.089","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556810","6.5742","0.001","7.6702","0.0012","12.636","0.0019","85.26","0.011","76.735","0.011","73.823","0.011","595.5","0.16","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 Cl N -","- C6 H7 Cl N -","- C24 H28 Cl4 N4 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","powder diffraction","","","","","","","","","","","","","2.62","","","","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556811","6.57","","7.676","","12.61","","85.17","","76.79","","73.87","","594.593","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0091","0.0101","","","0.0696","0.0697","","","2.62","","","2.972","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556812","6.57","","7.676","","12.61","","85.17","","76.79","","73.87","","594.593","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0094","0.0092","","","0.0427","0.0429","","","2.62","","","1.718","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556813","13.551","0.0005","8.0183","0.0003","14.8834","0.0004","90","","94.021","0.003","90","","1613.19","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0216","0.0214","","","0.0588","0.0602","","","2.62","","","1.1","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556814","13.551","0.0005","8.0183","0.0003","14.8834","0.0004","90","","94.021","0.003","90","","1613.19","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0269","0.0262","","","0.0724","0.0738","","","2.62","","","1.111","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556815","13.589","0.003","8.0415","0.0016","14.943","0.003","90","","93.998","0.013","90","","1628.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,4,-dichloro-9,10-dimethylotriptycene","1,4,-dichloro-9,10-dimethylotriptycene","","- C22 H16 Cl2 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","neutron","","Mo-Kα","","0.0724","0.0724","","","0.1923","0.1923","","","2.62","","","1.56","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556816","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0245","0.0235","","","0.084","0.0856","","","2.62","","","1.289","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556817","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0372","0.0327","","","0.0926","0.0977","","","2.62","","","1.164","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556818","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0806","0.0783","","","0.2879","0.2884","","","2.62","","","1.5059","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556819","10.085","","9.811","","17.915","","90","","101.64","","90","","1736.13","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0162","0.0149","","","0.0359","0.036","","","2.62","","","3.921","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556820","10.085","","9.811","","17.915","","90","","101.64","","90","","1736.13","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0221","0.0189","","","0.038","0.0382","","","2.62","","","3.009","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556821","15.0905","0.001","11.4741","0.0008","9.9484","0.0006","90","","90","","90","","1722.6","0.2","90","2","90","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0214","0.021","","","0.0652","0.0656","","","2.62","","","1.505","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556822","15.0905","0.001","11.4741","0.0008","9.9484","0.0006","90","","90","","90","","1722.6","0.2","90","2","90","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0253","0.0226","","","0.0632","0.0657","","","2.62","","","1.187","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556823","15.119","0.004","11.492","0.003","9.967","0.003","90","","90","","90","","1731.7","0.8","293","2","293","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0886","0.0886","","","0.2442","0.2442","","","2.62","","","1.88","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556824","8.0798","0.0003","8.1645","0.0003","20.3778","0.0008","90","","90","","90","","1344.27","0.09","100","2","99.97","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0252","0.025","","","0.0627","0.0629","","","2.62","","","1.091","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556825","8.0798","0.0003","8.1645","0.0003","20.3778","0.0008","90","","90","","90","","1344.27","0.09","100","2","99.97","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0337","0.0328","","","0.0935","0.0943","","","2.62","","","1.122","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556826","8.1019","0.0013","8.1922","0.0013","20.442","0.003","90","","90","","90","","1356.8","0.4","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","triptycene","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","neutron","","Mo-Kα","","0.0726","0.0672","","","0.1557","0.1616","","","2.62","","","1.075","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556827","8.08","","8.165","","20.378","","90","","90","","90","","1344.4","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0111","0.0109","","","0.0325","0.0326","","","2.62","","","1.226","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556828","8.08","","8.165","","20.378","","90","","90","","90","","1344.4","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.017","0.0161","","","0.0404","0.0407","","","2.62","","","1.17","","","","has coordinates","246060","2020-10-21","18:00:00",""