# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-04T08:58:53+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21/m 1 1' 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
"2014900","3.7852","0.0012","6.9366","0.0009","8.501","0.003","90","0.02","90","","90","","223.21","0.11","17.5","","17.5","","","","","","","","","3","P 21/m 1 1","P -2x 2xabv","","Titanium(III)-oxybromide","titanium(III) oxybromide","","- Br O Ti -","- Br O Ti -","- Br4 O4 Ti4 -","4","1","SK1825","Palatinus, Lukáš; Schönleber, Andreas; van Smaalen, Sander","The twofold superstructure of titanium(III) oxybromide at <i>T</i> = 17.5 K","Acta Crystallographica Section C","2005","61","5","i47","i48","10.1107/S010827010500867X","","","0.5","synchrotron","","0.0233","0.0182","","","0.0268","0.0287","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"4002818","39.1","0.008","16.748","0.003","16.501","0.003","90","","90.01","0.03","90","","10806","4","100","2","100","2","","","","","","","","4","P 21/m 1 1","-P 2xa","11","","","","- C120 H120 N80 O69 -","- C120 H120 N80 O69 -","- C240 H240 N160 O138 -","2","0.5","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.1434","0.1357","","","0.3568","0.3649","","","","","","1.082","","","","has coordinates,has disorder","199569","2020-10-21","18:00:00",""