# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:22:42+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 B: Structural Crystallography and Crystal Chemistry') AND volume = 27 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
"2000112","9.3","0.05","33.25","0.15","6.75","0.04","90","","120","0.3","90","","1807.63","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Imino-5-phenyl-thiazolidin-4-one","","","- C9 H8 N2 O S -","- C9 N2 O S -","- C72 N16 O8 S8 -","8","2","","Mornon, J. P.; Raveau, B.","Structure cristalline de la molécule schématisée par l'équilibre tautomère: amino-2 phényl-5 thiazolinone-4 ⇌ imino-2 phényl-5 thiazolidinone-4","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","1","95","108","10.1107/S0567740871001754","","","","","","","0.11","","","0.11","","","","","","","","","","","has coordinates","189487","2020-10-21","18:00:00",""
"2105791","9.4146","0.0001","9.4146","0.0001","9.4146","0.0001","90","","90","","90","","834.46","0.015","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Manganese(III) Oxide - Ht","Bixbyite C","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","0.333333","","Geller, S.","Structures of α-Mn~2~O~3~, (Mn~0.983~Fe~0.017~)~2~O~3~, (Mn~0.37~Fe~0.63~)~2O~3~ and relation to magnetic ordering","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","4","821","828","10.1107/S0567740871002966","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176330","2020-10-21","18:00:00",""
"2106193","11.95","","12.19","","14.08","","90","","141.2","","90","","1285.19","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K Mg (Nb (O2)4) (H2 O)7","","- H14 K Mg Nb O15 -","- H14 K Mg Nb O15 -","- H56 K4 Mg4 Nb4 O60 -","4","1","","Mathern, G.; Weiss, R.","Structure des complexes peroxydiques des metaux de transition. III. structure cristalline du tetraperoxoniobate de potassium et de magnesium a sept molecules d'eau, K Mg Nb (O2)4 (H2 O)7","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","8","1598","1609","10.1107/s0567740871004412","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""