# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-04T22:14:23+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 'Faraday discussions') AND volume = 243 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
"1568082","11.8219","0.0004","13.2826","0.0004","16.6908","0.0005","93.563","0.003","98.612","0.003","99.221","0.003","2547.86","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.5 H56 Mo N4 O -","- C59.5 H56 Mo N4 O -","- C119 H112 Mo2 N8 O2 -","2","1","","Hegg, Alexander S.; Mercado, Brandon Q.; Miller, Alexander J. M.; Holland, Patrick L.","Catalytic reduction of dinitrogen to ammonia using molybdenum porphyrin complexes.","Faraday discussions","2023","243","0","429","449","10.1039/d2fd00166g","","","1.54184","CuKα","","0.0709","0.0639","","","0.1897","0.1955","","","","","","1.057","","","","has coordinates,has disorder","286136","2023-09-05","19:55:43",""
"1568083","19.8644","0.001","25.0963","0.0009","11.9054","0.0009","90","","105.033","0.007","90","","5732","0.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H68 Cl2 Mo N4 -","- C70 H68 Cl2 Mo N4 -","- C280 H272 Cl8 Mo4 N16 -","4","0.5","","Hegg, Alexander S.; Mercado, Brandon Q.; Miller, Alexander J. M.; Holland, Patrick L.","Catalytic reduction of dinitrogen to ammonia using molybdenum porphyrin complexes.","Faraday discussions","2023","243","0","429","449","10.1039/d2fd00166g","","","1.54184","CuKα","","0.1623","0.0974","","","0.2362","0.2844","","","","","","1.033","","","","has coordinates,has disorder","286136","2023-09-05","19:55:43",""