# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-01T13:36:11+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 : PCCP') AND volume = 9 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
"7202767","6.86","0.002","13.404","0.005","22.474","0.009","90","","90","","90","","2066.5","1.3","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H13 N5 O12 -","- C19 H13 N5 O12 -","- C76 H52 N20 O48 -","4","1","","Balevicius, Vytautas; Bariseviciute, Ruta; Aidas, Kestutis; Svoboda, Ingrid; Ehrenberg, Helmut; Fuess, Hartmut","Proton transfer in hydrogen-bonded pyridine/acid systems: the role of higher aggregation.","Physical chemistry chemical physics : PCCP","2007","9","24","3181","3189","10.1039/b701775h","","","0.71073","MoKα","","0.0729","0.042","","","0.0913","0.1078","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202841","5.2737","0.001","11.658","0.002","7.7995","0.0015","90","","94.07","0.015","90","","478.31","0.15","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-aminoethane sulfonic acid","2-aminoethane sulfonic acid","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Beukes, J. A.; Mo, F.; van Beek, W.","X-Ray induced radiation damage in taurine: a combined X-ray diffraction and Raman study.","Physical chemistry chemical physics : PCCP","2007","9","33","4709","4720","10.1039/b703000b","","x-ray","0.71","Synchrotron","","0.0353","0.0326","","","0.0905","0.0921","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202842","5.2815","0.0011","11.644","0.002","7.9276","0.0016","90","","94.09","0.03","90","","486.29","0.16","296","1","296","1","","","100","","","","Commercial","5","P 1 21/c 1","-P 2ybc","14","2-aminoethane sulfonic acid","2-aminoethane sulfonic acid","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Beukes, J. A.; Mo, F.; van Beek, W.","X-Ray induced radiation damage in taurine: a combined X-ray diffraction and Raman study.","Physical chemistry chemical physics : PCCP","2007","9","33","4709","4720","10.1039/b703000b","","x-ray","0.7256","Synchrotron","","0.0445","0.0324","","","0.0897","0.1017","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""