# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-15T00:38:15+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 'Faraday Discussions') AND volume = 151 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
"1501627","9.9532","0.0003","9.9532","0.0003","26.7005","0.0011","90","","90","","90","","2645.12","0.16","293","2","293","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C30 H40 In N3 O14 -","- C22 H10 In O8 -","- C44 H20 In2 O16 -","2","0.125","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.71073","MoKα","","0.0805","0.0621","","","0.167","0.174","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501628","9.9617","0.0004","9.9617","0.0004","26.747","0.002","90","","90","","90","","2654.3","0.2","293","2","293","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C32 H38 In N3 O12 -","- C24 H12 In O8 -","- C48 H24 In2 O16 -","2","0.125","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.71073","MoKα","","0.178","0.0818","","","0.173","0.189","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501629","19.807","0.005","19.807","0.005","53.454","0.009","90","","90","","90","","20971","8","120","2","120","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H36 F4 In N3 O14 -","- C22 H6 F4 In O8 -","- C352 H96 F64 In16 O128 -","16","0.5","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.6943","synchrotron","","0.0685","0.0548","","","0.168","0.177","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501630","9.9617","0.0004","9.9617","0.0004","26.747","0.002","90","","90","","90","","2654.3","0.2","293","2","293","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C34 H36 In N3 O12 -","- C26 H10 In O8 -","- C52 H20 In2 O16 -","2","0.125","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.71073","MoKα","","0.0908","0.0458","","","0.098","0.105","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""