# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T10:40:22+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 = 71 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
"2310149","34.346","0.002","15.114","0.0009","32.5502","0.0019","90","","103.415","0.0013","90","","16436","1.7","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.41 H53.29 I6 N12 O2.44 Zn3 -","- C60.41 H53.292 I6 N12 O2.441 Zn3 -","- C483.28 H426.336 I48 N96 O19.528 Zn24 -","8","1","PC5042","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method","Acta Crystallographica Section A","2015","71","1","","","10.1107/S2053273314019573","","","0.41317","synchrotron","","0.0943","0.069","","","0.2093","0.2588","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2310150","34.936","0.003","14.9785","0.0013","30.825","0.003","90","","102.857","0.0017","90","","15726","2","100","","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55.61 H47.39 Cl2.1 I6 N12 Zn3 -","- C55.615 H47.398 Cl2.1 I6 N12 Zn3 -","- C444.92 H379.184 Cl16.8 I48 N96 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method","Acta Crystallographica Section A","2015","71","1","","","10.1107/S2053273314019573","","","0.41321","synchrotron","","0.0914","0.0852","","","0.2321","0.2392","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2310151","34.966","0.003","14.8683","0.0014","66.99","0.006","90","","104.191","0.001","90","","33764","5","100","2","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C411.01 H417.06 Cl1.65 I47.98 N96 O20.41 Zn23.99 -","- C410.998 H417.038 Cl1.65 I47.954 N96 O20.408 Zn23.977 -","- C821.996 H834.076 Cl3.3 I95.908 N192 O40.816 Zn47.954 -","2","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method","Acta Crystallographica Section A","2015","71","1","","","10.1107/S2053273314019573","","","0.41347","synchrotron","","0.0825","0.0619","","","0.175","0.1909","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2310152","34.655","0.003","14.7307","0.0014","31.081","0.003","90","","101.031","0.002","90","","15573","3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.44 H25.44 Cl4.32 I6 N12 Zn3 -","- C37.44 H25.44 Cl4.32 I6 N12 Zn3 -","- C299.52 H203.52 Cl34.56 I48 N96 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method","Acta Crystallographica Section A","2015","71","1","","","10.1107/S2053273314019573","","","0.41333","synchrotron","","0.1337","0.0937","","","0.2816","0.3384","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2311042","5.62","","5.62","","5.62","","90","","90","","90","","177.504","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sodium chloride","","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Juhás, Pavol; Farrow, Christopher L.; Yang, Xiaohao; Knox, Kevin R.; Billinge, Simon J. L.","Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems","Acta Crystallographica Section A","2015","71","6","562","568","10.1107/S2053273315014473","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","169984","2020-10-21","18:00:00",""