# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T19:09:23+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 = 154 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
"1507206","12.0463","0.0008","9.4802","0.0005","11.8853","0.0006","90","","110.191","0.003","90","","1273.91","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(2-hydroxy-ethyl)-pyrrolidinium; 2,5-dihydroxy-benzoate","1-(2-hydroxy-ethyl)-pyrrolidinium; 2,5-dihydroxy-benzoate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.0512","0.0433","","","0.1189","0.1237","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507207","6.708","0.0005","9.3067","0.0007","12.7864","0.0009","80.421","0.005","76.338","0.004","82.988","0.004","761.99","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","(3s,5s,7s)-adamantan-1-ammonium 2-hydroxybenzoate","(3s,5s,7s)-adamantan-1-ammonium 2-hydroxybenzoate","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.096","0.0503","","","0.117","0.1366","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507208","10.808","0.002","6.5508","0.0013","21.104","0.004","90","","99.42","0.03","90","","1474","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(3s,5s,7s)-adamantan-1-ammonium benzoate","(3s,5s,7s)-adamantan-1-ammonium benzoate","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.26","0.0988","","","0.2099","0.2986","","","","","","0.984","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507209","12.157","0.003","6.9992","0.0017","17.778","0.004","90","","92.728","0.014","90","","1511","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(3s,5s,7s)-adamantan-1-ammonium 2,5-dihydroxybenzoate","(3s,5s,7s)-adamantan-1-ammonium 2,5-dihydroxybenzoate","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.1465","0.0712","","","0.153","0.1864","","","","","","0.906","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507210","19.76","0.004","11.178","0.002","11.485","0.002","90","","95.28","0.01","90","","2526","0.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1-(2-hydroxyethyl)pyrrolidin-1-ium benzoate","1-(2-hydroxyethyl)pyrrolidin-1-ium benzoate","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C104 H152 N8 O24 -","8","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.1095","0.0494","","","0.1098","0.1312","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507211","10.165","0.001","12.302","0.001","11.254","0.001","90","","97.111","0.007","90","","1396.5","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","heptan-2-ammonium 2,5-dihydroxybenzoate","heptan-2-ammonium 2,5-dihydroxybenzoate","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.2183","0.105","","","0.1686","0.2021","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507212","11.668","0.002","9.365","0.001","12.161","0.002","90","","107.29","0.004","90","","1268.8","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(2-hydroxyethyl)pyrrolidin-1-ium 2-hydroxybenzoate","1-(2-hydroxyethyl)pyrrolidin-1-ium 2-hydroxybenzoate","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.1383","0.0703","","","0.1851","0.221","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:03:04",""