# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-12T13:17:24+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Crystal Growth & Design') AND volume = 23 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
"3000438","10.914","","8.223","","10.386","","90","","87.44","","90","","931.17","","79","","79","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N4 O4 S -","- C19 H22 N4 O4 S -","- C38 H44 N8 O8 S2 -","2","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.1371","0.1097","","","0.2921","0.3026","","","","","","1.126","","","","has coordinates","285948","2023-09-01","06:37:39",""
"3000439","8.3239","0.0004","9.8354","0.0005","14.1883","0.0007","78.613","0.002","80.88","0.003","87.127","0.003","1124.11","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N4 O5 S -","- C22 H30 N4 O5 S -","- C44 H60 N8 O10 S2 -","2","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.71073","MoKα","","0.0534","0.042","","","0.1186","0.1268","","","","","","1.102","","","","has coordinates","285949","2023-09-01","07:36:43",""
"3000440","11.718","","14.498","","14.742","","90","","106.84","","90","","2397.08","","79","","79","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N5 O4 S -","- C23 H29 N5 O4 S -","- C92 H116 N20 O16 S4 -","4","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.1942","0.1565","","","0.3468","0.3685","","","","","","1.136","","","","has coordinates","285951","2023-09-01","07:40:27",""
"3000441","10.815","","12.611","","16.549","","90","","90","","90","","2257.08","","79","","79","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H10 N2 O S -","- C12 H10 N2 O S -","- C96 H80 N16 O8 S8 -","8","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.1727","0.1377","","","0.3347","0.3488","","","","","","1.211","","","","has coordinates","285950","2023-09-01","07:38:31",""
"3000442","6.605","","8.935","","15.061","","104.04","","97.6","","97.5","","842.398","","79","","79","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H26 N2 O9 -","- C13 H26 N2 O9 -","- C26 H52 N4 O18 -","2","1","","Gogoi, Diptajyoti; Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Hojo, Hironobu; Kurisu, Genji; Thakuria, Ranjit","Structure Elucidation of Olanzapine Molecular Salts by Combining Mechanochemistry and Micro-Electron Diffraction","Crystal Growth & Design","2023","23","","5821","5826","10.1021/acs.cgd.3c00432","","","0.02508","electrons","","0.2214","0.1475","","","0.4024","0.42","","","","","","1.195","","","","has coordinates","285952","2023-09-01","07:42:51",""
"4519437","8.2901","0.0002","18.8144","0.0005","5.7082","0.0001","90","","90","","90","","890.33","0.04","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","9H-fluorene:dibenzo[b,d]thiophene 0.78:0.22","","- C12.78 H9.57 S0.22 -","- C12.784 H9.568 S0.216 -","- C51.136 H38.272 S0.864 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.34139","GaKα","","0.0381","0.037","","","0.0989","0.1001","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","280093","2023-01-04","13:32:44",""
"4519438","7.6368","0.0004","18.9566","0.0013","5.798","0.0004","90","","90","","90","","839.36","0.09","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.23:0.77","","- C12 H8 O0.77 S0.23 -","- C12 H8 O0.77 S0.23 -","- C48 H32 O3.08 S0.92 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0518","0.0503","","","0.1443","0.1469","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","280094","2023-01-04","13:32:58",""
"4519439","8.0978","0.0003","18.8577","0.0008","5.7063","0.0002","90","","90","","90","","871.39","0.06","100","","100.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","9H-fluorene:dibenzo[b,d]furan 0.69:0.31","","- C12.69 H9.37 O0.31 -","- C12.684 H9.368 O0.316 -","- C50.736 H37.472 O1.264 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","","1.54178","CuKα","","0.0581","0.0558","","","0.155","0.1578","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","280095","2023-01-04","13:33:14",""
"4519440","7.7875","0.0003","18.9102","0.0008","5.8053","0.0003","90","","90","","90","","854.91","0.07","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.46:0.54","","- C12 H8 O0.54 S0.46 -","- C12 H8 O0.545 S0.455 -","- C48 H32 O2.18 S1.82 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0374","0.0365","","","0.0996","0.1008","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","280096","2023-01-04","13:33:27",""
"4519441","7.8867","0.0005","18.8866","0.0012","5.8042","0.0004","90","","90","","90","","864.55","0.1","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.59:0.41","","- C12 H8 O0.41 S0.59 -","- C12 H8 O0.409 S0.591 -","- C48 H32 O1.636 S2.364 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0409","0.0388","","","0.1065","0.1091","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","280097","2023-01-04","13:33:50",""
"4519442","7.9749","0.0003","18.9409","0.0006","5.7813","0.0002","90","","90","","90","","873.28","0.05","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:9H-carbazole 0.62:0.38","","- C12 H8.38 N0.38 S0.62 -","- C12 H8.375 N0.375 S0.625 -","- C48 H33.5 N1.5 S2.5 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.34139","GaKα","","0.0333","0.0329","","","0.0871","0.0874","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","280098","2023-01-04","13:34:05",""
"4519443","7.9686","0.0003","18.8543","0.0006","5.806","0.0002","90","","90","","90","","872.31","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.73:0.27","","- C12 H8 O0.27 S0.73 -","- C12 H8 O0.274 S0.726 -","- C48 H32 O1.096 S2.904 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.032","0.0319","","","0.0855","0.0857","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","280099","2023-01-04","13:34:27",""
"4519444","8.0114","0.0007","18.8298","0.0016","5.8063","0.0005","90","","90","","90","","875.9","0.13","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.79:0.21","","- C12 H8 O0.21 S0.79 -","- C12 H8 O0.206 S0.794 -","- C48 H32 O0.824 S3.176 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.34139","GaKα","","0.0404","0.0381","","","0.1019","0.1044","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","280100","2023-01-04","13:34:41",""
"4519445","8.0589","0.0002","18.8454","0.0004","5.7503","0.0001","90","","90","","90","","873.32","0.03","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","9H-fluorene:dibenzo[b,d]thiophene:dibenzo[b,d]furan 0.45:0.32:0.23","","- C12.45 H8.91 O0.23 S0.32 -","- C12.46 H8.92 O0.22 S0.321 -","- C49.84 H35.68 O0.88 S1.284 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0355","0.0347","","","0.0936","0.0945","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","280101","2023-01-04","13:34:54",""
"4519446","8.0529","0.0008","18.8619","0.0017","5.8033","0.0004","90","","90","","90","","881.48","0.13","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","dibenzothiophene","dibenzo[b,d]thiophene","","- C12 H8 S -","- C12 H8 S -","- C48 H32 S4 -","4","0.5","","Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest","Seeking Rules Governing Mixed Molecular Crystallization","Crystal Growth & Design","2023","23","","273","288","10.1021/acs.cgd.2c00992","","x-ray","1.54178","CuKα","","0.0471","0.0427","","","0.1074","0.1101","","","","","","1.07","","","","has coordinates,has Fobs","280102","2023-01-04","13:35:17",""
"4519448","13.7562","0.0006","6.327","0.0003","7.105","0.0003","90","","90","","90","","618.39","0.05","150","","150","","","","","","","","","4","P n n m","-P 2 2n","58","Paraquat Dichloride","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(chloride)","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","0.25","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0307","0.0301","","","0.0857","0.0865","","","","","","1.136","","","","has coordinates,has Fobs","287197","2023-11-01","18:34:31",""
"4519449","9.1413","0.0004","10.7906","0.0005","15.999","0.0007","90","","90","","90","","1578.14","0.12","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","Paraquat Dichloride Hydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(chloride) hydrate","","- C12 H19.26 Cl2 N2 O2.63 -","- C12 H19.26 Cl2 N2 O2.631 -","- C48 H77.04 Cl8 N8 O10.524 -","4","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.051","0.0487","","","0.1341","0.1371","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","287198","2023-11-01","18:38:58",""
"4519450","6.9981","0.0002","9.7148","0.0003","11.2832","0.0004","107.163","0.001","100.17","0.001","93.123","0.001","716.77","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","Paraquat Dichloride Dihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium dichloride dihydrate","","- C12 H18 Cl2 N2 O2 -","- C12 H18 Cl2 N2 O2 -","- C24 H36 Cl4 N4 O4 -","2","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.026","0.0246","","","0.0756","0.0767","","","","","","1.053","","","","has coordinates,has Fobs","287199","2023-11-01","18:41:32",""
"4519451","9.0643","0.0002","16.0149","0.0003","11.2228","0.0002","90","","108.852","0.001","90","","1541.75","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Dichloride Trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(chloride) trihydrate","","- C12 H20 Cl2 N2 O3 -","- C12 H20 Cl2 N2 O3 -","- C48 H80 Cl8 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0262","0.0259","","","0.0748","0.0751","","","","","","1.081","","","","has coordinates,has Fobs","287200","2023-11-01","18:43:17",""
"4519452","5.9183","0.0002","8.0344","0.0002","13.4237","0.0004","90","","96.191","0.001","90","","634.57","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Paraquat Dibromide","1,1'-dimethyl-4,4'-bipyridin-1-ium dibromide","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C24 H28 Br4 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.54178","CuKα","","0.0188","0.0188","","","0.051","0.051","","","","","","1.154","","","","has coordinates,has Fobs","287201","2023-11-01","18:45:13",""
"4519453","7.149","0.0002","10.0023","0.0003","11.546","0.0003","107.877","0.001","101.122","0.001","93.657","0.001","764.28","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","Paraquat Dibromide Dihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium dibromide dihydrate","","- C12 H18 Br2 N2 O2 -","- C12 H18 Br2 N2 O2 -","- C24 H36 Br4 N4 O4 -","2","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0198","0.0195","","","0.0522","0.0524","","","","","","1.077","","","","has coordinates,has Fobs","287202","2023-11-01","18:46:34",""
"4519454","6.106","0.0003","8.1616","0.0004","14.2115","0.0007","90","","95.985","0.002","90","","704.37","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Paraquat Diiodide","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(iodide)","","- C12 H14 I2 N2 -","- C12 H14 I2 N2 -","- C24 H28 I4 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0244","0.022","","","0.0544","0.0555","","","","","","1.078","","","","has coordinates,has Fobs","287203","2023-11-01","18:48:07",""
"4519455","13.9258","0.0005","7.9087","0.0003","6.3902","0.0002","90","","94.888","0.002","90","","701.22","0.04","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Paraquat Diiodide","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(iodide)","","- C12 H14 I2 N2 -","- C12 H14 I2 N2 -","- C24 H28 I4 N4 -","2","0.25","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0311","0.0292","","","0.0717","0.0728","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","287204","2023-11-01","18:49:55",""
"4519456","13.5615","0.0004","14.2021","0.0004","14.7328","0.0004","90","","90","","90","","2837.56","0.14","150","","150","","","","","","","","","4","C m c e","-C 2ac 2","64","Paraquat Diiodide","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(iodide)","","- C12 H14 I2 N2 -","- C12 H14 I2 N2 -","- C96 H112 I16 N16 -","8","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0293","0.028","","","0.0736","0.0747","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","287205","2023-11-01","18:51:29",""
"4519457","6.1017","0.0003","8.1493","0.0004","14.2107","0.0007","90","","95.985","0.003","90","","702.77","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 1.87:0.13","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br0.13 I1.87 N2 -","- C12 H14 Br0.13 I1.87 N2 -","- C24 H28 Br0.26 I3.74 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0273","0.0246","","","0.0646","0.067","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","287206","2023-11-01","18:53:02",""
"4519458","6.0357","0.0003","8.141","0.0003","13.9228","0.0006","90","","95.912","0.002","90","","680.48","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 1.21:0.79","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br0.79 I1.21 N2 -","- C12 H14 Br0.792 I1.208 N2 -","- C24 H28 Br1.584 I2.416 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0236","0.0209","","","0.0512","0.0532","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","287207","2023-11-01","18:55:19",""
"4519459","6.0376","0.0004","8.1443","0.0005","13.9403","0.0008","90","","95.874","0.003","90","","681.87","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodie Bromide 1.19:0.81","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br0.81 I1.19 N2 -","- C12 H14 Br0.806 I1.194 N2 -","- C24 H28 Br1.612 I2.388 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0398","0.0388","","","0.1099","0.111","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","287208","2023-11-01","18:56:59",""
"4519460","6.0008","0.0004","8.1403","0.0006","13.7931","0.0009","90","","95.87","0.003","90","","670.24","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 0.88:1.12","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br1.11 I0.89 N2 -","- C12 H14 Br1.112 I0.888 N2 -","- C24 H28 Br2.224 I1.776 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0411","0.0373","","","0.1041","0.1074","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","287209","2023-11-01","18:58:36",""
"4519461","5.964","0.0005","8.1119","0.0007","13.6647","0.0012","90","","95.946","0.004","90","","657.53","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 0.54:1.46","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br1.46 I0.54 N2 -","- C12 H14 Br1.456 I0.544 N2 -","- C24 H28 Br2.912 I1.088 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.051","0.0478","","","0.1275","0.1305","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","287210","2023-11-01","19:01:40",""
"4519462","5.9498","0.0004","8.0945","0.0006","13.5611","0.001","90","","96.045","0.003","90","","649.48","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 0.36:1.64","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br1.64 I0.36 N2 -","- C12 H14 Br1.638 I0.362 N2 -","- C24 H28 Br3.276 I0.724 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0255","0.0232","","","0.0596","0.061","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","287211","2023-11-01","19:02:47",""
"4519463","9.12","0.0005","16.0291","0.0009","11.3082","0.0006","90","","109.244","0.002","90","","1560.72","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.35:1.65 trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.35 Cl1.65 N2 O3 -","- C12 H20 Br0.3505 Cl1.6495 N2 O3 -","- C48 H80 Br1.402 Cl6.598 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0378","0.0333","","","0.084","0.0873","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","287212","2023-11-01","19:04:03",""
"4519464","9.1298","0.0003","16.0379","0.0005","11.3215","0.0003","90","","109.233","0.001","90","","1565.2","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.41:1.59 trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.41 Cl1.59 N2 O3 -","- C12 H20 Br0.4105 Cl1.5895 N2 O3 -","- C48 H80 Br1.642 Cl6.358 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0253","0.0234","","","0.0673","0.0686","","","","","","0.94","","","","has coordinates,has disorder,has Fobs","287213","2023-11-01","19:05:20",""
"4519465","9.1539","0.0004","16.0477","0.0007","11.3448","0.0005","90","","109.414","0.002","90","","1571.78","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.49:1.51 trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.49 Cl1.51 N2 O3 -","- C12 H20 Br0.4905 Cl1.5095 N2 O3 -","- C48 H80 Br1.962 Cl6.038 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0257","0.0243","","","0.0678","0.0693","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","287214","2023-11-01","19:06:44",""
"4519466","9.1584","0.0003","16.0593","0.0006","11.3496","0.0004","90","","109.389","0.001","90","","1574.6","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.52:1.48 trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.52 Cl1.48 N2 O3 -","- C12 H20 Br0.5212 Cl1.4788 N2 O3 -","- C48 H80 Br2.0848 Cl5.9152 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0238","0.0232","","","0.0678","0.0685","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","287215","2023-11-01","19:08:02",""
"4519467","9.1681","0.0003","16.0667","0.0005","11.3762","0.0004","90","","109.49","0.001","90","","1579.71","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.59:1.41 Trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.59 Cl1.41 N2 O3 -","- C12 H20 Br0.5895 Cl1.4105 N2 O3 -","- C48 H80 Br2.358 Cl5.642 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0269","0.0262","","","0.07","0.0707","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","287216","2023-11-01","19:09:26",""
"4519468","9.1756","0.0003","16.2905","0.0005","11.4825","0.0003","90","","109.322","0.001","90","","1619.67","0.08","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 0.67:1.33 Trihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium chloride bromide trihydrate","","- C12 H20 Br0.68 Cl1.33 N2 O3 -","- C12 H20 Br0.674 Cl1.326 N2 O3 -","- C48 H80 Br2.696 Cl5.304 N8 O12 -","4","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0293","0.0258","","","0.0702","0.0729","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","287217","2023-11-01","19:11:12",""
"4519469","5.9881","0.0006","8.1142","0.0008","13.7856","0.0014","90","","95.975","0.005","90","","666.18","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Iodide Bromide 0.73:1.27","1,1'-dimethyl-4,4'-bipyridin-1-ium iodide bromide","","- C12 H14 Br1.27 I0.73 N2 -","- C12 H14 Br1.268 I0.732 N2 -","- C24 H28 Br2.536 I1.464 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0525","0.0464","","","0.1215","0.1268","","","","","","1.134","","","","has coordinates,has disorder,has Fobs","287218","2023-11-01","19:14:37",""
"4519470","5.9125","0.0002","8.0749","0.0003","13.4343","0.0006","90","","96.173","0.002","90","","637.67","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 1.85:0.15","1,1'-dimethyl-4,4'-bipyridin-1-ium bromide chloride","","- C12 H14 Br1.85 Cl0.15 N2 -","- C12 H14 Br1.854 Cl0.146 N2 -","- C24 H28 Br3.708 Cl0.292 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0187","0.0176","","","0.0523","0.0531","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","287219","2023-11-01","19:16:55",""
"4519471","5.8291","0.0002","8.1043","0.0003","13.1926","0.0005","90","","96.133","0.002","90","","619.66","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Paraquat Bromide Chloride 1:1","1,1'-dimethyl-4,4'-bipyridin-1-ium bromide chloride","","- C12 H14 Br Cl N2 -","- C12 H14 Br0.996 Cl1.004 N2 -","- C24 H28 Br1.992 Cl2.008 N4 -","2","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0289","0.0231","","","0.0566","0.0586","","","","","","1.156","","","","has coordinates,has disorder,has Fobs","287220","2023-11-01","19:18:42",""
"4519472","7.0732","0.0002","9.8786","0.0003","11.4345","0.0003","107.616","0.001","100.811","0.001","93.396","0.001","742.22","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","Paraquat Bromide Chloride 0.98:1.02 Dihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium bromide chloride dihydrate","","- C12 H18 Br0.98 Cl1.02 N2 O2 -","- C12 H18 Br0.984 Cl1.016 N2 O2 -","- C24 H36 Br1.968 Cl2.032 N4 O4 -","2","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0284","0.0273","","","0.0719","0.0725","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","287221","2023-11-01","19:20:56",""
"4519473","7.0591","0.0003","9.8488","0.0004","11.3976","0.0005","107.438","0.001","100.588","0.001","93.427","0.001","737.52","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","Paraquat Bromide Chloride 0.74:1.26 Dihydrate","1,1'-dimethyl-4,4'-bipyridin-1-ium bromide chloride dihydrate","","- C12 H18 Br0.74 Cl1.26 N2 O2 -","- C12 H18 Br0.739 Cl1.261 N2 O2 -","- C24 H36 Br1.478 Cl2.522 N4 O4 -","2","1","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.025","0.0247","","","0.0669","0.0671","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","287222","2023-11-01","19:23:27",""
"4519474","6.4293","0.0004","7.6672","0.0005","18.4558","0.0012","90","","93.007","0.003","90","","908.52","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-diaminobenzene-1,4-diammonium sulfate","","- C6 H12 N4 O4 S -","- C6 H12 N4 O4 S -","- C24 H48 N16 O16 S4 -","4","1","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.0522","0.0451","","","0.1135","0.1191","","","","","","1.067","","","","has coordinates,has Fobs","288085","2023-12-06","15:34:09",""
"4519475","7.604","0.0004","33.9391","0.0019","9.6678","0.0005","90","","90.578","0.003","90","","2494.9","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-aminobenzene-1,2,4-triammonium sesquikis(sulfate) dihydrate","","- C12 H34 N8 O16 S3 -","- C12 H34 N8 O16 S3 -","- C48 H136 N32 O64 S12 -","4","1","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.1082","0.0971","","","0.2158","0.2216","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","288086","2023-12-06","15:34:27",""
"4519476","9.2289","0.0006","17.9408","0.0012","7.3308","0.0005","90","","104.825","0.003","90","","1173.38","0.14","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","5-aminobenzene-1,2,4-triammonium hydrogen disulfate","","- C6 H14 N4 O8 S2 -","- C6 H14 N4 O8 S2 -","- C24 H56 N16 O32 S8 -","4","1","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.0302","0.0291","","","0.0742","0.0752","","","","","","0.999","","","","has coordinates,has Fobs","288087","2023-12-06","15:34:50",""
"4519477","7.448","0.0005","9.8087","0.0007","17.1698","0.0011","83.536","0.004","81.86","0.004","81.853","0.004","1223.68","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","5-aminobenzene-1,2,4-triammonium hydrogen disulfate","","- C6 H14 N4 O8 S2 -","- C6 H14 N4 O8 S2 -","- C24 H56 N16 O32 S8 -","4","2","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.0847","0.0599","","","0.158","0.177","","","","","","1.073","","","","has coordinates,has Fobs","288088","2023-12-06","15:35:12",""
"4519478","7.4291","0.0003","16.7187","0.0006","7.1695","0.0003","90","","100.443","0.002","90","","875.74","0.06","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","benzene-1,2,4,5-tetrakis(ammonium) tetrakis(hydrogen sulfate)","","- C6 H18 N4 O16 S4 -","- C6 H18 N4 O16 S4 -","- C12 H36 N8 O32 S8 -","2","0.25","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.54178","CuKα","","0.0516","0.0506","","","0.1242","0.1251","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","288089","2023-12-06","15:35:33",""
"4519479","9.3639","0.0003","8.0701","0.0002","10.3114","0.0003","90","","90.497","0.001","90","","779.18","0.04","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","benzene-1,2,4,5-tetrakis(ammonium) bis(hydrogen sulfate) sulfate","","- C6 H16 N4 O12 S3 -","- C6 H16 N4 O12 S3 -","- C12 H32 N8 O24 S6 -","2","0.5","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.0386","0.0386","","","0.0971","0.0972","","","","","","1.126","","","","has coordinates,has disorder,has Fobs","288090","2023-12-06","15:35:51",""