# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T20:47:33+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 'Dalton Transactions') AND volume = 50 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
"1565083","12.652","0.002","23.512","0.003","13.643","0.002","90","","99.32","0.02","90","","4004.9","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H63 K N3 O3 P S -","- C36.996 H62.992 K N3 O2.999 P S -","- C147.984 H251.968 K4 N12 O11.996 P4 S4 -","4","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0472","0.0345","","","0.0801","0.0872","","","","","","1.037","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565084","35.479","0.003","15.397","0.002","20.521","0.002","90","","94.93","0.02","90","","11169","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.12 H82.47 Cl N6 O0.38 P2 S2 Tb -","- C52.117 H82.468 Cl N6 O0.383 P2 S2 Tb -","- C416.936 H659.744 Cl8 N48 O3.064 P16 S16 Tb8 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0469","0.0289","","","0.0542","0.0594","","","","","","1.016","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565085","35.495","0.003","15.308","0.002","20.513","0.002","90","","94.92","0.02","90","","11105","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.09 H82.38 Cl Er N6 O0.41 P2 S2 -","- C52.094 H82.376 Cl Er N6 O0.406 P2 S2 -","- C416.752 H659.008 Cl8 Er8 N48 O3.248 P16 S16 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0372","0.0239","","","0.046","0.0501","","","","","","1.029","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565086","35.511","0.003","15.33","0.002","20.538","0.002","90","","95.09","0.02","90","","11136","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.14 H82.56 Cl Ho N6 O0.36 P2 S2 -","- C52.141 H82.564 Cl Ho N6 O0.359 P2 S2 -","- C417.128 H660.512 Cl8 Ho8 N48 O2.872 P16 S16 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0403","0.0252","","","0.0472","0.052","","","","","","1.014","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565087","35.623","0.004","15.253","0.002","20.56","0.003","90","","95.54","0.02","90","","11119","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.27 H83.08 Cl Lu N6 O0.23 P2 S2 -","- C52.2709 H83.0836 Cl Lu N6 O0.2291 P2 S2 -","- C418.167 H664.669 Cl8 Lu8 N48 O1.8328 P16 S16 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0339","0.0223","","","0.043","0.0464","","","","","","1.012","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565088","35.454","0.004","15.335","0.002","20.523","0.003","90","","95.29","0.02","90","","11111","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.25 H82.99 Cl Dy N6 O0.25 P2 S2 -","- C52.248 H82.992 Cl Dy N6 O0.252 P2 S2 -","- C417.984 H663.936 Cl8 Dy8 N48 O2.016 P16 S16 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0394","0.025","","","0.0478","0.0526","","","","","","1.021","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"7707811","24.059","0.0019","9.0771","0.0006","25.3307","0.0018","90","","112.705","0.004","90","","5103.2","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Cu N4 O8 S12 -","- C44 H38 Cu N4 O8 S12 -","- C176 H152 Cu4 N16 O32 S48 -","4","0.5","","Zhou, Zi-Yao; Ge, Chen-Yi; Jiang, Miao; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","Copper-bipyridine grid frameworks incorporating redox-active tetrathiafulvalene: structures and supercapacitance","Dalton Transactions","2021","50","32","11091","11098","10.1039/D1DT01805A","","","0.71073","MoKα","","0.0986","0.0559","","","0.124","0.1466","","","","","","1.024","","","","has coordinates,has disorder","268734","2021-09-06","11:03:26",""
"7707812","9.1976","0.0003","16.9404","0.0006","17.7175","0.0006","90","","95.852","0.001","90","","2746.2","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H46 Cu N4 O10 S12 -","- C46 H46 Cu N4 O10 S12 -","- C92 H92 Cu2 N8 O20 S24 -","2","1","","Zhou, Zi-Yao; Ge, Chen-Yi; Jiang, Miao; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","Copper-bipyridine grid frameworks incorporating redox-active tetrathiafulvalene: structures and supercapacitance","Dalton Transactions","2021","50","32","11091","11098","10.1039/D1DT01805A","","","0.71073","MoKα","","0.0476","0.0358","","","0.0805","0.0868","","","","","","1.044","","","","has coordinates,has disorder","268734","2021-09-06","11:03:28",""
"7707813","8.4066","0.0007","26.39","0.002","24.841","0.002","90","","94.326","0.003","90","","5495.3","0.8","192","2","192","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Cu N4 O12 S12 -","- C45 H44 Cu N4 O12 S12 -","- C180 H176 Cu4 N16 O48 S48 -","4","1","","Zhou, Zi-Yao; Ge, Chen-Yi; Jiang, Miao; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","Copper-bipyridine grid frameworks incorporating redox-active tetrathiafulvalene: structures and supercapacitance","Dalton Transactions","2021","50","32","11091","11098","10.1039/D1DT01805A","","","0.71073","MoKα","","0.0929","0.0506","","","0.0976","0.1109","","","","","","1.027","","","","has coordinates","268734","2021-09-06","11:03:28",""
"7708018","17.5725","0.0007","15.1574","0.0007","16.5994","0.0007","90","","106.422","0.0015","90","","4241","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","2CH3","","- C40 H49 Cl2 F3 N3 O3 S Sb -","- C40 H49 Cl2 F3 N3 O3 S Sb -","- C160 H196 Cl8 F12 N12 O12 S4 Sb4 -","4","1","","Tidwell, John R.; Dutton, Jason L.; Martin, Caleb D.","Antimony diiminopyridine complexes","Dalton Transactions","2021","50","34","11716","11719","10.1039/D1DT02085D","","","0.71073","MoKα","","0.0352","0.0314","","","0.0859","0.0894","","","","","","1.054","","","","has coordinates,has disorder","268814","2021-09-06","11:30:54",""
"7708019","9.4978","0.0002","17.5189","0.0004","26.3589","0.0008","90","","90","","90","","4385.88","0.19","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","2Ph","","- C44 H47 Cl2 F3 N3 O3 S Sb -","- C44 H47 Cl2 F3 N3 O3 S Sb -","- C176 H188 Cl8 F12 N12 O12 S4 Sb4 -","4","1","","Tidwell, John R.; Dutton, Jason L.; Martin, Caleb D.","Antimony diiminopyridine complexes","Dalton Transactions","2021","50","34","11716","11719","10.1039/D1DT02085D","","","0.71073","MoKα","","0.0429","0.0406","","","0.1042","0.1054","","","","","","1.132","","","","has coordinates,has disorder","268814","2021-09-06","11:30:54",""
"7708020","20.2985","0.0008","28.7063","0.0012","16.5024","0.0007","90","","90","","90","","9615.9","0.7","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","2H","","- C72 H87 Cl4 F6 N6 O6 S2 Sb2 -","- C72 H87 Cl4 F6 N6 O6 S2 Sb2 -","- C288 H348 Cl16 F24 N24 O24 S8 Sb8 -","4","1","","Tidwell, John R.; Dutton, Jason L.; Martin, Caleb D.","Antimony diiminopyridine complexes","Dalton Transactions","2021","50","34","11716","11719","10.1039/D1DT02085D","","","0.71073","MoKα","","0.0529","0.0451","","","0.1121","0.1157","","","","","","1.063","","","","has coordinates","268814","2021-09-06","11:30:54",""
"7708077","14.73","0.003","14.73","","17.616","0.005","90","","90","","120","","3310.1","1.2","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","Poly{[hexa(mu3-3-amino-4-hydroxybenzoate-k2O,O':kO'':k2N,O''')tri(mu3-hydroxide-kO:kO':kO'')tri(dimethylformamide-kO)pentayttrium(III)]pentahydrate}","","- C51 H56 N9 O25 Y5 -","- C51 H54 N9 O24 Y5 -","- C102 H108 N18 O48 Y10 -","2","0.166667","","Echenique-Errandonea, Estitxu; Pérez, Juana M.; Rojas, Sara; Cepeda, Javier; Seco, José M.; Fernández, Ignacio; Rodríguez-Diéguez, Antonio","A novel yttrium-based metal‒organic framework for the efficient solvent-free catalytic synthesis of cyanohydrin silyl ethers","Dalton Transactions","2021","50","34","11720","11724","10.1039/D1DT01953H","","","0.71073","MoKα","","0.0754","0.0399","","","0.1005","0.1151","","","","","","1.053","","","","has coordinates,has disorder","268805","2021-09-06","11:27:30",""