# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T00:46:32+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 'Chemistry – A European Journal') 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
"1570297","9.993","0.001","9.993","0.001","9.993","0.001","90","","90","","90","","997.9","0.17","503","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Heptalithium disulfid tetrasulfidophosphate(V)","","- Li7 P S6 -","- Li6.36 P S6 -","- Li25.44 P4 S24 -","4","0.0416667","","Kong, Shiao Tong; Gün, Özgül; Koch, Barbara; Deiseroth, Hans Jörg; Eckert, Hellmut; Reiner, Christof","Structural Characterisation of the Li Argyrodites Li7PS6 and Li7PSe6 and their Solid Solutions: Quantification of Site Preferences by MAS‐NMR Spectroscopy","Chemistry – A European Journal","2010","16","17","5138","5147","10.1002/chem.200903023","","","0.71973","MoKα","","","0.0278","","","","0.069","","","1.183","","","","","","","has coordinates","287557","2023-11-12","11:44:28",""
"1570300","10.475","0.001","10.475","0.001","10.475","0.001","90","","90","","90","","1149.38","0.19","453","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Heptalithium disulfid tetrasulfidophosphate(V)","","- Li7 P Se6 -","- Li7.92 P Se6 -","- Li31.68 P4 Se24 -","4","0.0416667","","Kong, Shiao Tong; Gün, Özgül; Koch, Barbara; Deiseroth, Hans Jörg; Eckert, Hellmut; Reiner, Christof","Structural Characterisation of the Li Argyrodites Li7PS6 and Li7PSe6 and their Solid Solutions: Quantification of Site Preferences by MAS‐NMR Spectroscopy","Chemistry – A European Journal","2010","16","17","5138","5147","10.1002/chem.200903023","","","0.71973","MoKα","","","0.0268","","","","0.0429","","","1.141","","","","","","","has coordinates","287590","2023-11-14","22:35:22",""
"3000407","22.4116","0.0016","18.4777","0.0013","17.2409","0.0012","90","0.006","106.899","0.008","90","0.006","6831.4","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 N2 O3 S2 -","- C39 H40 N2 O3 S2 -","- C312 H320 N16 O24 S16 -","8","2","","Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini","Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches","Chemistry – A European Journal","2022","","","","","10.1002/chem.202202698","","","1.54187","CuKα","","0.1105","0.0859","","","0.2121","0.2334","","","","","","0.993","","","","has coordinates","278856","2022-10-28","08:07:49",""
"3000408","11.4921","0.0008","16.4689","0.0012","24.1238","0.0017","94.468","0.004","93.849","0.004","109.226","0.004","4277.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H44 N2 O3 S4 -","- C47 H44 N2 O3 S4 -","- C188 H176 N8 O12 S16 -","4","2","","Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini","Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches","Chemistry – A European Journal","2022","","","","","10.1002/chem.202202698","","","1.54187","CuKα","","0.0758","0.0733","","","0.2283","0.2313","","","","","","1.035","","","","has coordinates,has disorder","278855","2022-10-28","08:05:20",""
"3000409","16.1211","0.0011","24.605","0.0017","27.4779","0.0019","90","0.004","106.823","0.004","90","0.004","10432.9","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H48 N2 O3 S6 -","- C55 H48 N2 O3 S6 -","- C440 H384 N16 O24 S48 -","8","1","","Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini","Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches","Chemistry – A European Journal","2022","","","","","10.1002/chem.202202698","","","1.54187","CuKα","","0.0385","0.0349","","","0.1025","0.104","","","","","","1.086","","","","has coordinates,has disorder","278857","2022-10-28","08:12:04",""