# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T12:59:43+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 'Acta Crystallographica, Section A') AND volume = 50 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
"9011073","14.26","","14.26","","14.26","","90","","90","","90","","2899.74","","","","296","3","","","","","","","Synthetic","1","F m -3","-F 2 2 3","202","","","Buckminsterfullerene","- C60 -","- C60 -","- C240 -","4","0.0416667","","Dorset, D. L.; McCourt, M. P.","Disorder and the molecular packing of C60 buckminsterfullerene: a direct electron-crystallographic analysis Sample: room T","Acta Crystallographica, Section A","1994","50","3","344","351","10.1107/S0108767393012607","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011074","6.64","","6.64","","37.9819","","90","","90","","120","","1450.25","","","","","","","","","","","","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Perryite","- Fe0.24 Ni7.76 P0.63 Si2.37 -","- Fe0.24 Ni7.76 P0.63 Si2.37 -","- Fe2.88 Ni93.12 P7.56 Si28.44 -","12","0.333333","","Marsh, R. E.","The centrosymmetric - noncentrosymmetric ambiguity: some more examples","Acta Crystallographica, Section A","1994","50","4","450","455","10.1107/S0108767393012796","","","","","","","","","","","","","","","","","","","","","has coordinates","288653","2024-01-03","17:00:04",""
"9011075","7.6152","","7.6152","","43.032","","90","","90","","120","","2161.15","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","Mertieite-II","- Pd8 Sb3 -","- Pd8 Sb3 -","- Pd96 Sb36 -","12","0.333333","","Marsh, R. E.","The centrosymmetric - noncentrosymmetric ambiguity: some more examples","Acta Crystallographica, Section A","1994","50","4","450","455","10.1107/S0108767393012796","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011076","18.722","","11.889","","6.688","","90","","90","","90","","1488.65","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C14 N4 O2 Pt -","- C14 H12 N4 O2 Pt -","- C56 H48 N16 O8 Pt4 -","4","0.25","","Marsh, R. E.","The centrosymmetric - noncentrosymmetric ambiguity: some more examples","Acta Crystallographica, Section A","1994","50","4","450","455","10.1107/S0108767393012796","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011077","12.385","","6.59","","13.394","","90","","98","","90","","1082.54","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 O4 P -","- C9 H17 O4 P -","- C36 H68 O16 P4 -","4","1","","Marsh, R. E.","The centrosymmetric - noncentrosymmetric ambiguity: some more examples","Acta Crystallographica, Section A","1994","50","4","450","455","10.1107/S0108767393012796","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""