# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T13:40:40+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 'Dalton Transactions') AND volume = 44 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
"7033130","10.0497","0.0001","19.9849","0.0003","19.7712","0.0002","90","","90","","90","","3970.89","0.08","150","2","150","2","","","","","","","","5","P m n b","-C 2c 2","63","","","","- C15 H12 N O39 Zr6 -","- C15 H12 N O39 Zr6 -","- C60 H48 N4 O156 Zr24 -","4","0.5","","Liang, Weibin; Babarao, Ravichandar; Murphy, Michael J.; D'Alessandro, Deanna Michelle","The First Example of a Zirconium-Oxide Based Metal-Organic Framework Constructed from Monocarboxylate Ligands","Dalton Transactions","2015","44","4","1516","1519","10.1039/C4DT03183K","","","1.54178","CuKα","","0.0572","0.0546","","","0.1687","0.1729","","","","","","1.064","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7036337","5.09838","0.00018","18.97424","0.00063","8.04487","0.00026","90","","90","","90","","778.24","0.05","300","","300","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Mo2 O8 Rb Sm -","- Mo2 O8 Rb Sm -","- Mo8 O32 Rb4 Sm4 -","4","0.5","","V.V. Atuchin; A.S. Aleksandrovsky; O.D.Chimitova; Cheng-Peng Diao; T.A. Gavrilova; V.G. Kesler; M.S. Molokeev; A.S. Krylov; B.G. Bazarov; J.G. Bazarova; Zheshuai Lin","Electronic structure of beta-RbSm(MoO4)2 and chemical bonding in molybdates","Dalton Transactions","2015","44","4","1805","1815","10.1039/C4DT03203A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.72","2.542","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036838","38.3513","0.0017","38.3513","","38.3513","","90","","90","","90","","56408","3","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C58 H94 N7 O43 Sm3 -","- C50 H36 N4 O23 Sm3 -","- C1200 H864 N96 O552 Sm72 -","24","0.5","","Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.","Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery","Dalton Trans.","2015","44","44","19370","19382","10.1039/C5DT02171E","","","0.71073","MoKα","","0.0756","0.0577","","","0.1479","0.1699","","","","","","1.079","","","","has coordinates,has disorder","171036","2020-10-21","18:00:00",""
"7036839","18.6342","0.0014","18.6342","","37.709","0.003","90","","90","","120","","11339.6","1.2","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C29.89 H41 Cu2 N3.22 O12.22 -","- C21 H9 Cu2 N O10 -","- C189 H81 Cu18 N9 O90 -","9","0.25","","Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.","Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery","Dalton Trans.","2015","44","44","19370","19382","10.1039/C5DT02171E","","","0.71073","MoKα","","0.0673","0.0485","","","0.1336","0.1409","","","","","","1.295","","","","has coordinates,has disorder","171036","2020-10-21","18:00:00",""
"7036840","27.4541","0.0015","27.4541","","9.7375","0.0005","90","","90","","90","","7339.4","0.6","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C32 H33.75 N3.75 O10.75 Zn2 -","- C25 H18 N2 O9 Zn2 -","- C200 H144 N16 O72 Zn16 -","8","","","Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.","Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery","Dalton Trans.","2015","44","44","19370","19382","10.1039/C5DT02171E","","","0.71073","MoKα","","0.0775","0.0586","","","0.1397","0.1499","","","","","","1.056","","","","has coordinates,has disorder","171036","2020-10-21","18:00:00",""
"7036919","5.61386","0.00025","5.86564","0.00027","8.11572","0.00036","90","","90.1608","0.0032","90","","267.24","0.02","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ca2 La Nb O6 -","- Ca2 La Nb O6 -","- Ca4 La2 Nb2 O12 -","2","0.5","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.24","1.149","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036920","5.62249","0.00048","5.86915","0.00051","8.12955","0.00067","90","","90.1512","0.0079","90","","268.27","0.04","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ba0.6 Ca3.4 La2 Nb2 O12 -","- Ba0.6 Ca3.4 La2 Nb2 O12 -","- Ba0.6 Ca3.4 La2 Nb2 O12 -","1","0.25","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.34","1.226","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036921","10.263","0.0016","5.93291","0.0006","5.93977","0.00075","90","","125.275","0.011","90","","295.26","0.08","300","","300","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ba1.2 Ca0.8 La Nb O6 -","- Ba1.2 Ca0.8 La Nb O6 -","- Ba2.4 Ca1.6 La2 Nb2 O12 -","2","0.25","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.9","1.335","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036922","10.3628","0.0018","5.9652","0.0011","5.9606","0.0012","90","","125.34","0.0087","90","","300.57","0.1","300","","300","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ba1.6 Ca0.4 La Nb O6 -","- Ba1.6 Ca0.4 La Nb O6 -","- Ba3.2 Ca0.8 La2 Nb2 O12 -","2","0.25","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.98","1.311","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036923","10.4771","0.0012","6.0588","0.00059","6.03093","0.00069","90","","125.386","0.0057","90","","312.11","0.06","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba2 La Nb O6 -","- Ba2 La Nb O6 -","- Ba4 La2 Nb2 O12 -","2","0.25","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.16","1.13","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""