# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-18T09:32:27+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 & Fuels') AND volume = 28 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
"1514323","14.356","0.004","6.3845","0.0019","7.889","0.002","90","","90","","90","","723.1","0.3","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C5 H9 N5 -","- C5 H9 N5 -","- C20 H36 N20 -","4","0.5","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.0644","0.0584","","","0.1629","0.1707","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514324","7.268","0.0005","7.3848","0.0005","9.2509","0.0006","88.28","0.004","74.55","0.004","64.429","0.004","429.64","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 N5 O2 -","- C6 H9 N5 O2 -","- C12 H18 N10 O4 -","2","1","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.0714","0.0464","","","0.1153","0.132","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514325","5.668","0.01","20.59","0.04","6.402","0.011","90","","114.27","0.03","90","","681","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 N7 -","- C3 H7 N7 -","- C12 H28 N28 -","4","1","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.1066","0.0612","","","0.1525","0.177","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514326","7.243","0.0007","8.2646","0.0008","9.8487","0.0009","68.198","0.005","70.224","0.005","66.763","0.005","490.1","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N5 O2 -","- C8 H9 N5 O2 -","- C16 H18 N10 O4 -","2","1","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.0631","0.0396","","","0.0909","0.1009","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514327","29.767","0.012","7.814","0.004","19.687","0.008","90","","111.016","0.016","90","","4275","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H7 I N4 -","- C3 H7 I N4 -","- C72 H168 I24 N96 -","24","3","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.0267","0.0238","","","0.0552","0.0562","","","","","","1.15","","","","has coordinates","176729","2020-10-21","18:00:00",""