# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T08:49:05+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 'Energy & Environmental Science') AND volume = 3 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
"1515888","14.4512","0.0007","9.4625","0.0006","11.7824","0.0007","90","","90","","90","","1611.18","0.16","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H32 B2 N4 Ni -","- C10 H32 B2 N4 Ni -","- C40 H128 B8 N16 Ni4 -","4","0.5","","Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech","Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research","Energy & Environmental Science","2010","3","12","1973","","10.1039/c0ee00051e","","","0.71073","MoKα","","0.0943","0.0363","","","0.0873","0.0951","","","","","","0.818","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515889","7.1397","0.0005","12.8109","0.0007","8.7041","0.0005","90","","109.948","0.006","90","","748.36","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H32 B2 N4 Ni -","- C10 H32 B2 N4 Ni -","- C20 H64 B4 N8 Ni2 -","2","0.5","","Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech","Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research","Energy & Environmental Science","2010","3","12","1973","","10.1039/c0ee00051e","","","0.71073","MoKα","","0.0251","0.019","","","0.0501","0.0511","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515890","22.847","0.015","22.847","0.015","12.458","0.016","90","","90","","90","","6503","10","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C17 H20 Co N5 O1.5 -","- C12 H8 Co N4 -","- C192 H128 Co16 N64 -","16","0.5","","Choi, Hye Jin; Dincă, Mircea; Dailly, Anne; Long, Jeffrey R.","Hydrogen storage in water-stable metal‒organic frameworks incorporating 1,3- and 1,4-benzenedipyrazolate","Energy & Environmental Science","2010","3","1","117","","10.1039/b917512a","","","0.7749","synchrotron","","0.0794","0.0635","","","0.1642","0.1748","","","","","","1.339","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""