# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:54:14+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Cryst. Growth & Design') AND volume = 19 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
"4515226","17.598","0.0005","18.303","0.0005","13.82","0.0004","90","","113.671","0.001","90","","4076.9","0.2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","catena-{[Cu2(amp)4Cl][Cr(ox)3].6H2O","","","- C30 H40 Cl Cr Cu2 N8 O18 -","- C30 H40 Cl Cr Cu2 N8 O18 -","- C120 H160 Cl4 Cr4 Cu8 N32 O72 -","4","0.5","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.054","0.0381","","","0.1069","0.1185","","","","","","1.069","","","","has coordinates","220337","2020-10-21","18:00:00",""
"4515227","17.568","0.005","16.601","0.005","13.578","0.005","90","","68.486","0.005","90","","3684","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","catena-{[Cu2(amp)4Cl][Cr(ox)3].H2O","","","- C30 H34 Cl Cr Cu2 N8 O13 -","- C30 H34 Cl Cr Cu2 N8 O13 -","- C120 H136 Cl4 Cr4 Cu8 N32 O52 -","4","1","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.0849","0.0604","","","0.1114","0.1272","","","","","","1.108","","","","has coordinates","220338","2020-10-21","18:00:00",""
"4515228","17.5565","0.0011","16.4806","0.0013","13.67","0.0013","90","","68.052","0.002","90","","3668.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","catena-{[Cu2(amp)4Cl][Fe(ox)3]}.H2O","","","- C30 H34 Cl Cu2 Fe N8 O13 -","- C30 H34 Cl Cu2 Fe N8 O13 -","- C120 H136 Cl4 Cu8 Fe4 N32 O52 -","4","1","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.107","0.0459","","","0.0917","0.1147","","","","","","1.118","","","","has coordinates","220339","2020-10-21","18:00:00",""
"4515229","17.625","0.0007","18.391","0.0007","13.878","0.0006","90","","114.032","0.002","90","","4108.5","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","catena-{[Cu2(amp)4Cl][Fe(ox)3].6H2O","","","- C30 H40 Cl Cu2 Fe N8 O18 -","- C30 H40 Cl Cu2 Fe N8 O18 -","- C120 H160 Cl4 Cu8 Fe4 N32 O72 -","4","0.5","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.0547","0.0391","","","0.1131","0.1232","","","","","","1.047","","","","has coordinates","220340","2020-10-21","18:00:00",""
"4517227","10.0282","0.0006","25.0624","0.0016","10.6559","0.0007","90","","94.416","0.002","90","","2670.2","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C144 H72 O32 P8 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0383","0.0366","","","0.0929","0.0946","","","","","","1.063","","","","has coordinates,has Fobs","245435","2020-10-21","18:00:00",""
"4517228","28.5547","0.0011","16.6794","0.0006","11.62","0.0004","90","","98.99","0.001","90","","5466.3","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C288 H144 O64 P16 -","16","4","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0426","0.0417","","","0.1078","0.109","","","","","","1.055","","","","has coordinates,has Fobs","245436","2020-10-21","18:00:00",""
"4517229","11.6101","0.0003","16.6814","0.0005","28.2286","0.0008","90","","90","","90","","5467.1","0.3","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C288 H144 O64 P16 -","16","4","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0519","0.0475","","","0.1217","0.1266","","","","","","1.026","","","","has coordinates,has Fobs","245437","2020-10-21","18:00:00",""
"4517230","9.9199","0.0005","11.8932","0.0005","11.895","0.0006","90","","101.879","0.003","90","","1373.31","0.11","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C72 H36 O16 P4 -","4","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0447","0.042","","","0.1068","0.1099","","","","","","1.025","","","","has coordinates,has Fobs","245438","2020-10-21","18:00:00",""
"4517231","12.0382","0.0008","7.4286","0.0005","29.694","0.002","90","","90","","90","","2655.4","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","phosphangulene oxide : phosphangulene 0.50:0.50","","- C18 H9 O3.5 P -","- C18 H9 O3.504 P -","- C144 H72 O28.032 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0646","0.0624","","","0.162","0.1636","","","","","","1.152","","","","has coordinates,has Fobs","245439","2020-10-21","18:00:00",""
"4517232","10.1281","0.0008","25.426","0.002","10.6714","0.0008","90","","93.978","0.004","90","","2741.4","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","phosphangulene oxyde : phosphangulene sulfide 0.71:0.29","","","- C18 H9 O3.71 P S0.29 -","- C18 H9 O3.7085 P S0.2915 -","- C144 H72 O29.668 P8 S2.332 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0822","0.0746","","","0.165","0.1694","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","245440","2020-10-21","18:00:00",""
"4517233","14.4805","0.0005","16.6226","0.0006","11.7323","0.0004","90","","101.205","0.002","90","","2770.18","0.17","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene oxyde : phosphangulene sulfide 0.91:0.09","","","- C18 H9 O3.72 P S0.28 -","- C18 H9 O3.7255 P S0.2745 -","- C144 H72 O29.804 P8 S2.196 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0487","0.0405","","","0.0992","0.1038","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","245441","2020-10-21","18:00:00",""
"4517234","14.5033","0.0005","16.6611","0.0006","11.7398","0.0004","90","","101.117","0.001","90","","2783.58","0.17","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene oxyde : phosphangulene sulfide 0.94:0.06","","","- C18 H9 O3.65 P S0.35 -","- C18 H9 O3.6475 P S0.3525 -","- C144 H72 O29.18 P8 S2.82 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0381","0.035","","","0.0855","0.0877","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","245442","2020-10-21","18:00:00",""
"4517235","15.0217","0.0006","13.5252","0.0005","14.4528","0.0005","90","","93.393","0.002","90","","2931.25","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene selenide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-selenide","","- C18 H9 O3 P Se -","- C18 H9 O3 P Se -","- C144 H72 O24 P8 Se8 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0456","0.032","","","0.0745","0.0811","","","","","","1.056","","","","has coordinates,has Fobs","245443","2020-10-21","18:00:00",""
"4517236","14.1307","0.0008","6.9551","0.0004","29.079","0.002","90","","90.359","0.002","90","","2857.8","0.3","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","phosphangulene selenide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-selenide","","- C18 H9 O3 P Se -","- C18 H9 O3 P Se -","- C144 H72 O24 P8 Se8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0647","0.0632","","","0.1756","0.1774","","","","","","1.057","","","","has coordinates,has Fobs","245444","2020-10-21","18:00:00",""
"4517237","12.085","0.0006","7.4412","0.0004","29.722","0.0016","90","","90","","90","","2672.8","0.2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C144 H72 O32 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0561","0.0491","","","0.1238","0.131","","","","","","1.088","","","","has coordinates,has Fobs","245445","2020-10-21","18:00:00",""
"4517238","12.0473","0.0004","7.4364","0.0003","29.7151","0.001","90","","90","","90","","2662.13","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide : phosphangulene 0.70:0.30","","","- C18 H9 O3.7 P -","- C18 H9 O3.704 P -","- C144 H72 O29.632 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0493","0.0466","","","0.1205","0.1225","","","","","","1.114","","","","has coordinates,has Fobs","245446","2020-10-21","18:00:00",""
"4517239","12.0696","0.0005","7.4375","0.0003","29.7131","0.0012","90","","90","","90","","2667.28","0.19","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide : phosphangulene 0.85:0.15","","","- C18 H9 O3.85 P -","- C18 H9 O3.854 P -","- C144 H72 O30.832 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0476","0.0376","","","0.0851","0.0907","","","","","","1.06","","","","has coordinates,has Fobs","245447","2020-10-21","18:00:00",""
"4517240","14.502","0.0004","16.6652","0.0005","11.7455","0.0004","90","","101.037","0.001","90","","2786.13","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene oxyde : phosphangulene sulfide 0.63:0.37","","","- C18 H9 O3.63 P S0.37 -","- C18 H9 O3.627 P S0.373 -","- C144 H72 O29.016 P8 S2.984 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.035","0.0339","","","0.0846","0.0856","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","245448","2020-10-21","18:00:00",""
"4517241","14.7446","0.0003","13.0971","0.0003","14.9443","0.0003","90","","90","","90","","2885.92","0.11","105","","105","","","","","","","","","5","P b c a","-P 2ac 2ab","61","phosphangulene sulfide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-sulfide","","- C18 H9 O3 P S -","- C18 H9 O3 P S -","- C144 H72 O24 P8 S8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0306","0.0294","","","0.0847","0.0857","","","","","","1.051","","","","has coordinates,has Fobs","245449","2020-10-21","18:00:00",""
"4517246","15.7484","0.0005","13.2732","0.0004","42.7568","0.0013","90","","98.284","0.002","90","","8844.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-selenone C60 fullerene chlorobenzene solvate","","- C162 H23 Cl O6 P2 Se2 -","- C162 H23 Cl O6 P2 Se2 -","- C648 H92 Cl4 O24 P8 Se8 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.2034","0.1393","","","0.333","0.3816","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","245505","2020-10-21","18:00:00",""
"4517247","13.0971","0.0004","14.1629","0.0004","13.3737","0.0004","90","","118.41","0.0011","90","","2181.95","0.11","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-selenone C60 fullerene carbon disulfide","","- C79 H9 O3 P S2 Se -","- C79 H9 O3 P S2 Se -","- C158 H18 O6 P2 S4 Se2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0688","0.0648","","","0.1768","0.1824","","","","","","1.081","","","","has coordinates,has Fobs","245506","2020-10-21","18:00:00",""
"4517248","13.0898","0.0008","14.0998","0.0009","13.3595","0.0008","90","","118.467","0.003","90","","2167.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-thione C60 fullerene carbon disulfide","","- C79 H9 O3 P S3 -","- C79 H9 O3 P S3 -","- C158 H18 O6 P2 S6 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0657","0.0563","","","0.1201","0.1286","","","","","","1.134","","","","has coordinates,has Fobs","245507","2020-10-21","18:00:00",""
"4517249","18.3952","0.0009","13.3563","0.0006","39.9166","0.0019","90","","94.304","0.002","90","","9779.5","0.8","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sesquikis(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene methanol solvate","","","- C349 H58 O25 P6 -","- C349.24 H58 O25 P6 -","- C698.48 H116 O50 P12 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1439","0.128","","","0.3899","0.4139","","","","","","1.932","","","","has coordinates,has disorder","245508","2020-10-21","18:00:00",""
"4517250","10.0466","0.0003","22.0937","0.0006","13.3309","0.0004","90","","96.709","0.001","90","","2938.75","0.15","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene toluene solvate","","- C103 H26 O8 P2 -","- C103 H26 O8 P2 -","- C206 H52 O16 P4 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0718","0.0657","","","0.1638","0.1703","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","245509","2020-10-21","18:00:00",""
"4517251","10.0298","0.0004","22.4623","0.0008","10.197","0.0004","90","","96.888","0.002","90","","2280.73","0.15","105","","105","","","","","","","","","5","P 1 n 1","P -2yac","7","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one C60 fullerene chlorobenzene solvate","","- C84 H14 Cl O4 P -","- C84 H14 Cl O4 P -","- C168 H28 Cl2 O8 P2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1105","0.0785","","","0.1937","0.2189","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","245510","2020-10-21","18:00:00",""
"4517252","27.1567","0.0014","13.6785","0.0007","27.0976","0.0013","90","","119.191","0.0019","90","","8787.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene 1,2-xylene solvate","","- C138 H57 O12 P3 -","- C138 H57 O12 P3 -","- C552 H228 O48 P12 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1291","0.1029","","","0.2865","0.3189","","","","","","1.069","","","","has coordinates,has disorder","245511","2020-10-21","18:00:00",""
"4517253","13.0855","0.0006","13.4725","0.0007","15.6662","0.0007","76.899","0.003","87.109","0.003","61.864","0.002","2367","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-thione C60 fullerene 1,3-xylene solvate","","- C86 H19 O3 P S -","- C86 H19 O3 P S -","- C172 H38 O6 P2 S2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0951","0.0653","","","0.1272","0.1415","","","","","","1.08","","","","has coordinates,has Fobs","245512","2020-10-21","18:00:00",""
"4517254","13.2521","0.0015","14.4547","0.0015","25.261","0.003","90","","90.153","0.006","90","","4838.9","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12Λ5-phosphadibenzo[cd,mn]pyrene-12c-thione C70 fullerene carbon disulfide","","- C89 H9 O3 P S3 -","- C89 H9 O3 P S3 -","- C356 H36 O12 P4 S12 -","4","2","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1001","0.0926","","","0.2402","0.247","","","","","","1.068","","","","has coordinates,has Fobs","245513","2020-10-21","18:00:00",""
"4517255","8.3259","0.0002","9.6536","0.0002","10.0614","0.0002","109.144","0.001","95.857","0.001","106.722","0.001","714.21","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) monohydrate","6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) monohydrate","","- C12 H14 N10 O -","- C12 H14 N10 O -","- C24 H28 N20 O2 -","2","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.34139","GaKα","","0.0443","0.0387","","","0.0968","0.1019","","","","","","1.078","","","","has coordinates,has Fobs","245514","2020-10-21","18:00:00",""
"4517256","19.3777","0.0007","9.5631","0.0003","18.9111","0.0007","90","","90","","90","","3504.4","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C13 H17 N11 O S -","- C13 H17 N11 O S -","- C104 H136 N88 O8 S8 -","8","2","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0303","0.03","","","0.0796","0.08","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","245515","2020-10-21","18:00:00",""
"4517257","8.6367","0.0003","15.6587","0.0005","19.3519","0.0007","80.649","0.001","83.362","0.001","74.699","0.001","2483.54","0.15","150","","150","","","","","","","","","5","P -1","-P 1","2","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C16 H28 N12 O3 S3 -","- C16 H28 N12 O3 S3 -","- C64 H112 N48 O12 S12 -","4","2","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0409","0.0402","","","0.1089","0.1098","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","245516","2020-10-21","18:00:00",""
"4517258","16.8304","0.0006","14.237","0.0005","18.0925","0.0007","90","","90","","90","","4335.2","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C14 H22 N12 O2 S2 -","- C14 H22 N12 O2 S2 -","- C112 H176 N96 O16 S16 -","8","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0433","0.043","","","0.1192","0.1196","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","245517","2020-10-21","18:00:00",""
"4517259","7.9895","0.0002","11.89","0.0004","12.153","0.0004","98.304","0.001","92.058","0.001","108.035","0.001","1082.25","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) monohydrate","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) monohydrate","","- C16 H16 F6 N10 O5 -","- C16 H16 F6 N10 O5 -","- C32 H32 F12 N20 O10 -","2","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.34139","GaKα","","0.0561","0.0424","","","0.1009","0.11","","","","","","1.04","","","","has coordinates,has Fobs","245518","2020-10-21","18:00:00",""
"4517260","8.8984","0.0004","17.106","0.0007","10.7576","0.0004","90","","91.727","0.002","90","","1636.74","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) methanol solvate","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) methanol solvate","","- C13 H19 N11 O2 -","- C13 H19 N11 O2 -","- C52 H76 N44 O8 -","4","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.34139","GaKα","","0.0484","0.0462","","","0.122","0.1247","","","","","","1.045","","","","has coordinates,has Fobs","245519","2020-10-21","18:00:00",""
"4517261","15.5811","0.0003","9.7851","0.0002","30.4229","0.0005","90","","90","","90","","4638.36","0.15","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate hemihydrate","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate hemihydrate","","- C32 H54 N22 O6 S5 -","- C32 H54 N22 O6 S5 -","- C128 H216 N88 O24 S20 -","4","0.5","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0604","0.0595","","","0.1524","0.153","","","","","","1.259","","","","has coordinates,has disorder,has Fobs","245520","2020-10-21","18:00:00",""
"4517262","4.8558","0.0002","13.2314","0.0005","17.8274","0.0006","78.822","0.002","85.849","0.001","82.793","0.002","1113.43","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) dihydrate","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) dihydrate","","- C15 H17 F6 N11 O6 -","- C15 H17 F6 N11 O6 -","- C30 H34 F12 N22 O12 -","2","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0445","0.0415","","","0.1155","0.1194","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","245521","2020-10-21","18:00:00",""