# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:15:01+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 'Molecules') AND volume = 27 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
"1566322","7.9178","0.0001","8.1363","0.0001","20.5574","0.0003","90","","90","","90","","1324.34","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","1.54184","CuKα","","0.0416","0.041","","","0.1051","0.1057","","","","","","1.044","","","","has coordinates","272807","2022-02-05","18:44:19",""
"1566323","7.8835","0.0003","8.068","0.0003","20.1237","0.0008","90","","90","","90","","1279.95","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","0.71073","MoKα","","0.0467","0.0449","","","0.1061","0.1071","","","","","","1.041","","","","has coordinates","272808","2022-02-05","18:44:35",""
"1567074","13.9156","0.0003","3.92009","0.00008","30.0833","0.0006","90","","102.038","0.001","90","","1604.97","0.06","99.99","","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","1","0.25","","Bermúdez-Puente, Brais; Adrio, Luis A.; Lucio-Martínez, Fátima; Reigosa, Francisco; Ortigueira, Juan M.; Vila, José M.","Imine Palladacycles: Synthesis, Structural Analysis and Application in Suzuki–Miyaura Cross Coupling in Semi-Aqueous Media","Molecules","2022","27","10","3146","","10.3390/molecules27103146","","","0.71073","MoKα","","0.0448","0.0283","","","0.0501","0.0541","","","","","","1.0355","","","","has coordinates","275854","2022-06-07","03:54:48",""
"1567075","8.7215","0.0001","10.1275","0.0001","12.8202","0.0001","101.771","0.001","103.693","0.001","90.843","0.001","1074.68","0.019","130.02","0.16","130.02","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N4 O2 -","- C24 H21 Cl N4 O2 -","- C48 H42 Cl2 N8 O4 -","2","1","","Govdi, Anastasia I.; Tokareva, Polina V.; Rumyantsev, Andrey M.; Panov, Maxim S.; Stellmacher, Johannes; Alexiev, Ulrike; Danilkina, Natalia A.; Balova, Irina A.","4,5-Bis(arylethynyl)-1,2,3-triazoles-A New Class of Fluorescent Labels: Synthesis and Applications.","Molecules (Basel, Switzerland)","2022","27","10","3191","","10.3390/molecules27103191","","x-ray","1.54184","CuKα","","0.0374","0.0365","","","0.0955","0.0964","","","","","","1.054","","","","has coordinates","275855","2022-06-07","03:55:14",""