# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-02T20:40:07+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 'Physical Chemistry Chemical Physics') AND volume = 4 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
"7203848","15.501","0.004","15.497","0.008","10.428","0.003","89.99","0.04","90.02","0.02","90","0.03","2505","1.6","296.2","","","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C28 H60 Cl3 Gd N8 O20 -","- C28 H52 Cl3 Gd N8 O20 -","- C56 H104 Cl6 Gd2 N16 O40 -","2","0.25","","Umebayashi, Yasuhiro; Matsumoto, Kai; Mekata, Isamu; Ishiguro, Shin-ichi","Solvation structure of lanthanide(iii) ions in solvent mixtures of N,N-dimethylformamide and N,N-dimethylacetamide studied by titration Raman spectroscopy","Physical Chemistry Chemical Physics","2002","4","22","5599","5605","10.1039/b204162f","","","0.7107","MoKα","","","0.0442","","","","0.06","","","","","","1","","","","has coordinates","274638","2022-04-22","16:09:43",""
"7203849","7.5429","0.0007","10.9459","0.001","12.1974","0.0011","76.36","0.002","78.1","0.002","74.491","0.002","931.94","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 I N2 O S -","- C19 H21 I N2 O S -","- C38 H42 I2 N4 O2 S2 -","2","1","","Tang, Xin-Jing; Wu, Li-Zhu; Zhang, Li-Ping; Tung, Chen-Ho","Two-photon-pumped frequency-upconverted lasing and optical power limiting properties of vinylbenzothiazole-containing compounds in solution","Physical Chemistry Chemical Physics","2002","4","23","5744","5747","10.1039/b206259c","","","0.71073","MoKα","","0.0971","0.0412","","","0.0851","0.1068","","","","","","0.659","","","","has coordinates","274639","2022-04-22","16:14:21",""
"7204893","9.773","0.002","17.05","0.003","27.745","0.006","78.31","0.03","89.92","0.03","77.1","0.03","4408.3","1.7","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H157 N5 O13 -","- C92.04 H157.09 N5.01 O13.01 -","- C184.08 H314.18 N10.02 O26.02 -","2","1","","Kuzmicz, Rafal; Dobrzycki, Lukasz; Wozniak, Krzysztof; Benevelli, Francesca; Klinowski, Jacek; Kolodziejski, Waclaw","X-ray diffraction and 13C solid-state NMR studies of the solvate of tetra(C-undecyl)calix[4]resorcinarene with dimethylacetamide","Physical Chemistry Chemical Physics","2002","4","11","2387","2391","10.1039/b107416b","","","0.71073","MoKα","","0.1687","0.1171","","","0.2888","0.3412","","","","","","1.051","","","","has coordinates,has disorder","274640","2022-04-22","16:18:17",""
"7204907","9.55","0.001","17.179","0.002","9.784","0.001","90","","112.75","0.01","90","","1480.3","0.3","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 F6 Li N O6 S2 -","- C6 H10 F6 Li N O6 S2 -","- C24 H40 F24 Li4 N4 O24 S8 -","4","1","","Brouillette, Dany; Irish, Donald E.; Taylor, Nicholas J.; Perron, Gérald; Odziemkowski, Marek; Desnoyers, Jacques E.","Stable solvates in solution of lithium bis(trifluoromethylsulfone)imide in glymes and other aprotic solvents: Phase diagrams, crystallography and Raman spectroscopy","Physical Chemistry Chemical Physics","2002","4","24","6063","6071","10.1039/b203776a","","","0.71073","MoKα","","0.0413","0.0351","","","0.0894","0.0901","","","","","","2.207","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7205024","10.9411","0.0007","13.449","0.001","7.714","0.001","90","","90","","90","","1135.09","0.18","173","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag5 I2 S3 Sb -","- Ag20 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0241","0.0214","","0.0565","0.0559","","","","2.31","2.25","2.25","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205025","10.9674","0.0008","13.52","0.001","7.7392","0.0005","90","","90","","90","","1147.56","0.14","298","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag11.999 I2 S3 Sb -","- Ag47.996 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0337","0.0199","","0.0434","0.0409","","","","1.22","1.09","1.09","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205026","11.0033","0.0008","13.569","0.001","7.746","0.0005","90","","90","","90","","1156.51","0.14","373","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag13.994 I2 S3 Sb -","- Ag55.976 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0435","0.0236","","0.0536","0.0503","","","","1.49","1.25","1.25","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205027","11.0243","0.0008","13.598","0.001","7.7442","0.0005","90","","90","","90","","1160.92","0.14","423","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag14.022 I2 S3 Sb -","- Ag56.088 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.056","0.0294","","0.0582","0.0542","","","","1.27","1.05","1.05","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205028","11.0359","0.0008","13.612","0.001","7.7424","0.0005","90","","90","","90","","1163.07","0.14","473","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag14.006 I2 S3 Sb -","- Ag56.024 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0612","0.0305","","0.0635","0.0581","","","","1.32","1.09","1.09","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205029","11.0602","0.0009","13.656","0.001","7.7527","0.0005","90","","90","","90","","1170.95","0.15","523","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag13.994 I2 S3 Sb -","- Ag55.976 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0676","0.0329","","0.0678","0.0633","","","","1.56","1.23","1.23","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205030","11.071","0.001","13.699","0.001","7.7633","0.0006","90","","90","","90","","1177.39","0.16","573","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag13.988 I3 S3 Sb -","- Ag55.952 I12 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0686","0.033","","0.0706","0.0648","","","","1.52","1.21","1.21","","","","","has coordinates","287941","2023-12-01","17:26:20",""
"7222419","7.5438","","7.5438","","7.5438","","90","","90","","90","","429.309","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Na3 (P O4)","","- Na3 O4 P -","- Na3 O4.002 P -","- Na12 O16.008 P4 -","4","0.0208333","","Harrison, R.J.; Putnis, A.; Kockelmann, W.","Phase transition behaviour and equilibrium phase relations in the fast-ion conductor system (Na3 P O4) - (Na2 S O4)","Physical Chemistry Chemical Physics","2002","4","","3252","3259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""