# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-03T15:13:34+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 'Acta Crystallographica Section A') AND volume = 75 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
"2311096","8.015","0.0016","10.015","0.002","17.703","0.004","90","","90","","90","","1421","0.5","77","","77","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","TD5055","Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter","Reducing dynamical electron scattering reveals hydrogen atoms","Acta Crystallographica Section A","2019","75","1","82","93","10.1107/S2053273318013918","","","0.02508","Electrondiffraction","","0.1681","0.1495","","","0.3531","0.369","","","","","","1.1","","","","has coordinates,has Fobs","213453","2020-10-21","18:00:00",""
"2311097","10.996","0.002","12.452","0.002","13.218","0.003","90","","90","","90","","1809.8","0.6","77","","77","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O6 S2 -","- C18 H16 N2 O6 S2 -","- C72 H64 N8 O24 S8 -","4","1","","Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter","Reducing dynamical electron scattering reveals hydrogen atoms","Acta Crystallographica Section A","2019","75","1","82","93","10.1107/S2053273318013918","","","0.02508","Electrondiffraction","","0.1721","0.1543","","","0.376","0.3896","","","","","","1.109","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2311098","16.8015","0.0005","6.5945","0.0002","22.4243","0.0006","90","","90","","90","","2484.56","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","tri-(o-Chloroanilinium Nitrate","tri-(o-Chloroanilinium Nitrate","","- C6 H7 Cl N2 O3 -","- C6 H7 Cl N2 O3 -","- C72 H84 Cl12 N24 O36 -","12","3","","Athmani, Hamza; Kijatkin, Christian; Benali-Cherif, Rim; Pillet, Sébastien; Schaniel, Dominik; Imlau, Mirco; Benali-Cherif, Nourredine; Bendeif, El-Eulmi","Nonlinear optical organic‒inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri-(<i>o</i>-chloroanilinium nitrate)","Acta Crystallographica Section A","2019","75","1","107","114","10.1107/S2053273318014122","","","0.71073","MoKα","","0.0771","0.0474","","","0.0876","0.099","","","","","","1.065","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2311099","24.94919","0.00016","24.94919","0.00016","24.94919","0.00016","90","","90","","90","","15529.9","0.17","200","","200","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Na Zeolite Y * CO2","","- C33.94 Al0 Na58.75 O481.8 Si192 -","- C33.936 Na58.704 O481.856 Si192 -","- C33.936 Na58.704 O481.856 Si192 -","1","0.00520833","SC5122","Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco","CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment","Acta Crystallographica Section A Foundations and Advances","2019","75","2","","","10.1107/S2053273318017618","","x-ray","0.70158","synchrotron","","0.0861","0.072","","","0.2438","0.2651","","","","","","1.101","","","","has coordinates,has disorder","213529","2020-10-21","18:00:00",""
"2311100","24.86059","0.00015","24.86059","0.00015","24.86059","0.00015","90","","90","","90","","15365.1","0.16","300","","300","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Na Zeolite Y * CO2","","- C0.34 Al0 Na0.36 O2.57 Si -","- C0.336 Na0.360083 O2.57367 Si -","- C64.512 Na69.136 O494.144 Si192 -","192","1","SC5122","Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco","CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment","Acta Crystallographica Section A Foundations and Advances","2019","75","2","","","10.1107/S2053273318017618","","x-ray","0.70158","synchrotron","","0.0813","0.0642","","","0.2054","0.2272","","","","","","1.146","","","","has coordinates,has disorder","213529","2020-10-21","18:00:00",""