# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T02:53:05+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 'Langmuir : the ACS journal of surfaces and colloids') AND volume = 22 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
"4504828","55.313","0.001","7.919","0.001","9.818","0.001","90","","99.63","0.01","90","","4239.9","0.7","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Fe -","- C24 H38 Fe -","- C192 H304 Fe8 -","8","1","","Wedeking, Katrin; Mu, Zhongcheng; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Chi, Lifeng; Fuchs, Harald","Tetradecylferrocene: ordered molecular array of an organometallic amphiphile in the crystal and in a two-dimensional assembled structure on a surface.","Langmuir : the ACS journal of surfaces and colloids","2006","22","7","3161","3165","10.1021/la0531594","","","0.71073","MoKα","","0.1079","0.0587","","","0.0986","0.1119","","","","","","1.017","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504829","4.681","0.008","5.665","0.01","44.65","0.08","88.29","0.03","88.9","0.04","78.03","0.03","1158","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","phosphoric acid didecyl ester","","","- C20 H43 O4 P -","- C20 H43 O4 P -","- C40 H86 O8 P2 -","2","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.2312","0.1894","","","0.4017","0.4197","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504830","4.693","0.002","5.663","0.003","51.99","0.02","89.212","0.013","88.506","0.013","78.08","0.009","1351.4","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","phosphoric acid didodecyl ester","","","- C24 H51 O4 P -","- C24 H51 O4 P -","- C48 H102 O8 P2 -","2","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.2153","0.1262","","","0.2909","0.3201","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504831","4.702","0.004","5.642","0.005","29.92","0.03","84.779","0.018","85.697","0.018","77.885","0.016","771.6","1.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","phosphoric acid ditetradecyl ester","","","- C28 H59 O4 P -","- C28 H59 O4 P -","- C28 H59 O4 P -","1","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.1619","0.1433","","","0.3556","0.3737","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504832","4.717","0.003","5.602","0.003","33.609","0.019","85.242","0.012","86.283","0.011","77.441","0.01","862.9","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","phosphoric acid dihexadecyl ester","","","- C32 H67 O4 P -","- C32 H67 O4 P -","- C32 H67 O4 P -","1","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.0784","0.0693","","","0.1984","0.2029","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504833","18.0259","0.0017","14.9021","0.0013","10.5521","0.0008","90","","97.917","0.003","90","","2807.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30.5 H28 Cl Fe N S4 -","- C30.5 H28 Cl Fe N S4 -","- C122 H112 Cl4 Fe4 N4 S16 -","4","2","","Byrne, Paul D.; Müller, Peter; Swager, Timothy M.","Conducting metallopolymers based on azaferrocene.","Langmuir : the ACS journal of surfaces and colloids","2006","22","25","10596","10604","10.1021/la061078h","","","0.71073","MoKα","","0.0703","0.0539","","","0.1136","0.1188","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""