# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-01T11:20:10+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 'The Journal of Physical Chemistry. C, Nanomaterials and Interfaces') AND volume = 13 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
"4002851","27.3847","0.001","5.01906","0.00016","17.1935","0.0006","90","","97.3103","0.002","90","","2343.96","0.14","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C100 H88 Cl4 N12 O20 -","4","1","","Dmytro V. Dudenko; P. Andrew Williams; Colan E. Hughes; Oleg N. Antzutkin; Sitaram P. Velaga; Steven P. Brown; Kenneth D. M. Harris","Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids","The Journal of Physical Chemistry. C, Nanomaterials and Interfaces","2013","13","","12258","12265","10.1021/jp4041106","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","201403","2020-10-21","18:00:00",""