# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T14:50:18+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 'Nature communications') AND volume = 3 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
"1509247","28.8921","0.0017","9.781","0.0006","12.2102","0.0007","90","","105.762","0.003","90","","3320.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","18-crown-6-KCl-iodoperfluorobutane","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,1-Iodononafluorobutane","","- C20 H24 Cl F18 I2 K O6 -","- C20 H24 Cl F18 I2 K O6 -","- C80 H96 Cl4 F72 I8 K4 O24 -","4","0.5","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0265","0.0184","","","0.0395","0.0436","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509248","27.7056","0.0015","9.6249","0.0005","12.2412","0.0006","90","","101.759","0.002","90","","3195.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","18-crown-6-KI-iodoperfluoropropane","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumiodide, 1-Iodoheptafluoropropane","","- C18 H24 F14 I3 K O6 -","- C18 H24 F14 I3 K O6 -","- C72 H96 F56 I12 K4 O24 -","4","0.5","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature Communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0429","0.0299","","","0.0649","0.0736","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509249","9.782","0.0005","14.983","0.0006","12.1152","0.0006","90","","92.886","0.002","90","","1773.4","0.14","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","18-crown-6-KCl-dihydrate","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,dihydrate","","- C12 H28 Cl K O8 -","- C12 H26 Cl K O8 -","- C48 H104 Cl4 K4 O32 -","4","1","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature Communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0736","0.0514","","","0.1332","0.144","","","","","","1.065","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1548338","38.527","0.002","38.527","0.002","38.527","0.002","90","","90","","90","","57187","5","296","2","296","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C108 H36 Cd6 Cl3 N24 O48 -","- C108 H36 Cd6 Cl3 N24 O48 -","- C864 H288 Cd48 Cl24 N192 O384 -","8","0.0416667","","Chun-Yi Sun; Xin-Long Wang; Xiao Zhang; Chao Qin; Peng Li; Zhong-Min Su; Dong-Xia Zhu; Guo-Gang Shan; Kui-Zhan Shao; Han Wu; Jing Li","Efficient and tunable white-light emission of metal-organic frameworks by iridium-complex encapsulation","Nature Communications","2013","3","","2717","","10.1038/ncomms3717","","","0.71073","MoKα","","0.0908","0.0776","","","0.2192","0.2339","","","","","","1.042","","","","has coordinates,has disorder","203823","2020-10-21","18:00:00",""
"9014304","10.657","0.003","5.887","0.001","7.228","0.002","90","","95.035","0.008","90","","451.7","0.2","323","","323","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu6 H12 O22 V4 -","2","0.25","","Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.","Orbital Switching in a Frustrated Magnet","Nature Communications","2012","3","","860","865","10.1038/ncomms1875","","","0.7107","MoKα","","","0.0413","","","","0.1223","","","","","","1.407","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016228","10.6418","0.0001","5.8485","0.0001","14.4157","0.0001","90","","95.443","0.001","90","","893.17","0.02","150","","150","","","","","","","","Synthetic","4","I 1 2/a 1","-I 2ya","15","","","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu12 H24 O44 V8 -","4","0.5","","Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.","Orbital Switching in a Frustrated Magnet","Nature Communications","2012","3","","860","865","10.1038/ncomms1875","","","0.7107","MoKα","","","0.0293","","","","0.0767","","","","","","1.144","","","","has coordinates","283658","2023-05-10","17:55:52",""