# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T05:09:45+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 'Journal of Applied Crystallography') AND volume = 48 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
"2300485","6.462","0.002","16.147","0.003","3.988","0.002","90","","90","","90","","416.1","0.3","100","2","100","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Pt7 Sc4 Si2 -","- Pt7 Sc4 Si2 -","- Pt14 Sc8 Si4 -","2","0.25","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0358","0.024","","","0.0459","0.0469","","","","","","1.241","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300486","6.447","0.002","16.121","0.003","3.982","0.002","90","","90","","90","","413.9","0.3","100","2","100","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Pt7 Sc4 Si2 -","- Pt7 Sc4 Si2 -","- Pt14 Sc8 Si4 -","2","0.25","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0262","0.0257","","","0.0675","0.0678","","","","","","1.286","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300487","9.216","0.002","9.216","0.002","9.216","0.002","90","","90","","90","","782.8","0.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Br0.09 Cl0.91 Cu6 O8 Pb -","- Br0.089 Cl0.911 Cu6 O8 Pb -","- Br0.356 Cl3.644 Cu24 O32 Pb4 -","4","0.0208333","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0235","0.0235","","","0.0497","0.0497","","","","","","1.197","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300488","9.2164","0.0002","9.2164","0.0002","9.2164","0.0002","90","","90","","90","","782.86","0.03","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Br0.1 Cl0.9 Cu6 O8 Pb -","- Br0.103 Cl0.897 Cu6 O8 Pb -","- Br0.412 Cl3.588 Cu24 O32 Pb4 -","4","0.0208333","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0196","0.0196","","","0.0451","0.0451","","","","","","1.218","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300489","8.439","0.002","10.559","0.002","13.807","0.003","90","","90","","90","","1230.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0186","0.0136","","","0.0239","0.0248","","","","","","1.156","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300490","8.442","0.002","10.569","0.002","13.816","0.003","90","","90","","90","","1232.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0172","0.015","","","0.0321","0.0326","","","","","","1.175","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300491","3.394","0.002","4.374","0.002","11.995","0.003","90","","90","","90","","178.07","0.14","100","2","100","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C8 Co2 Sc6 -","2","0.125","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0172","0.0145","","","0.0314","0.0321","","","","","","1.097","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300492","3.398","0.002","4.377","0.002","12.003","0.003","90","","90","","90","","178.52","0.14","100","2","100","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C8 Co2 Sc6 -","2","0.125","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0121","0.012","","","0.0327","0.0327","","","","","","1.275","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300493","9.601","0.002","8.377","0.002","17.201","0.003","90","","97.35","0.02","90","","1372.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br2 N -","- C16 H13 Br2 N -","- C64 H52 Br8 N4 -","4","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0206","0.0187","","","0.0481","0.0488","","","","","","1.067","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300494","9.599","0.002","8.378","0.002","17.194","0.003","90","","97.32","0.02","90","","1371.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br2 N -","- C16 H13 Br2 N -","- C64 H52 Br8 N4 -","4","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0211","0.0197","","","0.0535","0.0541","","","","","","1.082","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300495","18.568","0.003","9.504","0.002","21.378","0.003","90","","102.95","0.02","90","","3676.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C120 H184 Br8 Cl8 Co4 N16 Si8 -","4","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.026","0.0204","","","0.0485","0.0507","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2300496","18.588","0.002","9.518","0.002","21.403","0.003","90","","102.95","0.02","90","","3690.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C120 H184 Br8 Cl8 Co4 N16 Si8 -","4","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0277","0.0219","","","0.0569","0.0592","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2300497","6.055","0.002","6.055","0.002","6.055","0.002","90","","90","","90","","221.99","0.13","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","germanium bismuth telluride","","","- Bi1.09 Ge2.37 Te4 -","- Bi1.088 Ge2.368 Te4 -","- Bi1.088 Ge2.368 Te4 -","1","0.00520833","","Urban, Philipp; Simonov, Arkadiy; Weber, Thomas; Oeckler, Oliver","Real structure of Ge4Bi2Te7: refinement on diffuse scattering data with the 3D-ΔPDF method","Journal of Applied Crystallography","2015","48","1","200","","10.1107/S1600576714027824","","x-ray","0.47686","synchrotron","","0.0181","0.0156","","","0.0183","0.0191","","","","","","1.35","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2300498","5.6085","0.0003","5.6085","0.0003","6.9183","0.0006","90","","90","","120","","188.46","0.02","10","","10","","","","","","","","","4","R 3 m :H","R 3 -2""","160","Sodium Potassium Niobate oxide","Sodium Potassium Niobate oxide","","- K0.5 Na0.5 Nb O3 -","- K0.5 Na0.5 Nb O3 -","- K1.5 Na1.5 Nb3 O9 -","3","0.166667","NB5132","Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.","Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~","Journal of Applied Crystallography","2015","48","2","","","10.1107/S1600576715000941","powder diffraction","","2.52277","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.3147","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300499","3.9443","0.0003","5.6425","0.0006","5.6763","0.0006","90","","90","","90","","126.33","0.02","295","","295","","","","","","","","","4","A m m 2","A 2 -2","38","Sodium Potassium Niobate oxide","Sodium Potassium Niobate oxide","","- K0.5 Na0.5 Nb O3 -","- K0.5 Na0.5 Nb O3 -","- K Na Nb2 O6 -","2","0.25","NB5132","Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.","Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~","Journal of Applied Crystallography","2015","48","2","","","10.1107/S1600576715000941","powder diffraction","","1.54056","CuKα","","","","","","","","","20.2129","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300501","17.822","0.012","4.85","0.003","19.783","0.014","90","","102.37","0.009","90","","1670.3","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C56 H80 N16 O16 -","8","1","","Graiff, Claudia; Pontiroli, Daniele; Bergamonti, Laura; Cavallari, Chiara; Lottici, Pier Paolo; Predieri, Giovanni","Structural investigation of <i>N</i>,<i>N</i>'-methylenebisacrylamide <i>via</i> X-ray diffraction assisted by crystal structure prediction","Journal of Applied Crystallography","2015","48","2","550","557","10.1107/S1600576715004161","","","0.71073","MoKα","","0.1233","0.0738","","","0.1983","0.2281","","","","","","0.99","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300502","12.6105","0.0006","7.6858","0.0003","15.9256","0.0007","90","","106.541","0.001","90","","1479.66","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Co N2 O7 -","- C13 H15 Co N2 O7 -","- C52 H60 Co4 N8 O28 -","4","1","","Cox, Jordan M.; Walton, Ian M.; Benson, Cassidy A.; Chen, Yu-Sheng; Benedict, Jason B.","A versatile environmental control cell for <i>in situ</i> guest exchange single-crystal diffraction","Journal of Applied Crystallography","2015","48","2","578","581","10.1107/S160057671500432X","","x-ray","0.41328","","","0.0933","0.0872","","","0.2223","0.2344","","","","","","1.221","","","","has coordinates,has disorder","176809","2020-10-21","18:00:00",""
"2300503","54.695","0.002","9.8891","0.0004","16.877","0.0006","90","","92.628","0.005","90","","9118.9","0.6","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Br2 N2 O3 -","- C42 H80 Br2 N2 O3 -","- C336 H640 Br16 N16 O24 -","8","1","","Chen, Qibin; Yao, Junyao; Hu, Xin; Shen, Jincheng; Sheng, Yujie; Liu, Honglai","Monolayer effect of a gemini surfactant with a rigid biphenyl spacer on its self-crystallization at the air/liquid interface","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715004938","","","1.54178","CuKα","","0.1484","0.1241","","","0.3079","0.3304","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2300504","10.157","","9.246","","7.03","","90","","105.9","","90","","634.94","","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Magnesium Molybdate","","- Mg Mo O4 -","- Mg Mo O4 -","- Mg8 Mo8 O32 -","8","1","","Gemmi, Mauro; La Placa, Maria G. I.; Galanis, Athanassios S.; Rauch, Edgar F.; Nicolopoulos, Stavros","Fast electron diffraction tomography","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715004604","","electron","0.0335","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2300505","5.9038","0.0004","10.7455","0.0008","19.4895","0.0011","90","","90.263","0.002","90","","1236.39","0.14","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","0.5","","Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng","Supramolecular organic frameworks of a Schiff base showing selective guest adsorption","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715005889","","","0.71073","MoKα","","0.0555","0.0421","","","0.111","0.1164","","","","","","0.986","","","","has coordinates,has Fobs","136478","2020-10-21","18:00:00",""
"2300506","6.8524","0.0003","11.9655","0.0005","17.3274","0.0008","90","","99.678","0.0011","90","","1400.5","0.11","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl6 N2 O4 -","- C24 H22 Cl6 N2 O4 -","- C48 H44 Cl12 N4 O8 -","2","0.5","","Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng","Supramolecular organic frameworks of a Schiff base showing selective guest adsorption","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715005889","","","0.71073","MoKα","","0.099","0.0592","","","0.1657","0.1826","","","","","","0.933","","","","has coordinates,has disorder,has Fobs","136478","2020-10-21","18:00:00",""
"2300507","13.2363","0.0009","11.765","0.0008","17.6353","0.0009","90","","103.281","0.001","90","","2672.8","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O5 -","- C26 H28 N2 O5 -","- C104 H112 N8 O20 -","4","1","","Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng","Supramolecular organic frameworks of a Schiff base showing selective guest adsorption","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715005889","","","0.71073","MoKα","","0.1243","0.1015","","","0.2874","0.3038","","","","","","1.109","","","","has coordinates,has Fobs","136478","2020-10-21","18:00:00",""
"2300508","12.8209","0.0009","7.0395","0.0004","14.7623","0.0007","90","","96.82","0.003","90","","1322.91","0.14","193","2","193","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C32 H28 N4 O4 -","- C32 H28 N4 O4 -","- C64 H56 N8 O8 -","2","0.5","","Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng","Supramolecular organic frameworks of a Schiff base showing selective guest adsorption","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715005889","","","0.71073","MoKα","","0.1084","0.0727","","","0.1769","0.1953","","","","","","1.049","","","","has coordinates,has Fobs","136478","2020-10-21","18:00:00",""
"2300509","9.0136","0.0012","21.5","0.003","4.7005","0.0006","90","","90","","90","","910.9","0.2","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H9 N3 O6 -","- C6 H9 N3 O6 -","- C24 H36 N12 O24 -","4","1","","Prasad, A. Aditya; Meenakshisundaram, S. P.","Hydrogen-bonded supramolecular architecture in nonlinear optical ammonium 2,4-dinitrophenolate hydrate","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715006445","","x-ray","0.71073","MoKα","","0.05","0.0392","","","0.0756","0.0833","","","","","","1.027","","","","has coordinates,has Fobs","137268","2020-10-21","18:00:00",""
"2300513","16.589","0.0012","10.9575","0.0008","16.6795","0.0011","90","","113.623","0.002","90","","2777.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N O2 -","- C32 H39 N O2 -","- C128 H156 N4 O8 -","4","1","","Sharma, Ranjana; Prasher, Dixit; Tiwari, R. K.","Crystal structure analysis of ebastine [4-(4-benzhydryloxy-1-piperidyl)-1-(4-<i>tert</i>-butylphenyl) butan-1-one]: an oral histamine antagonist","Journal of Applied Crystallography","2015","48","4","","","10.1107/S160057671501050X","","","0.71073","MoKα","","0.0849","0.0496","","","0.1319","0.1549","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2300556","3.26061","0.00008","3.26061","0.00008","17.00619","0.00089","90","","90","","120","","156.58","0.01","295","","295","","","","","","","","","4","R -3 m :H","-R 3 2""","166","NiCl(OH); 1 Ni(OH)2 1 NiCl2","","","- Cl H Ni O -","- Cl Ni O -","- Cl3 Ni3 O3 -","3","0.0833333","","Bette, Sebastian; Dinnebier, Robert E.; Freyer, Daniela","Structure solution and refinement of stacking-faulted NiCl(OH)","Journal of Applied Crystallography","2015","48","6","","","10.1107/S1600576715017719","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.02","","1.889","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2300557","7.763","0.0001","8.7109","0.0001","10.8701","0.0001","90","","102.937","0.001","90","","716.407","0.014","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","sucrose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Dmitrienko, Artem O.; Bushmarinov, Ivan S.","Reliable structural data from Rietveld refinements <i>via</i> restraint consistency","Journal of Applied Crystallography","2015","48","6","","","10.1107/S1600576715018233","","x-ray","0.71073","MoKα","","0.0823","0.0411","","","0.092","0.11","","","","","","0.971","","","","has coordinates,has Fobs","169912","2020-10-21","18:00:00",""
"2300558","5.1731","0.0005","3.3381","0.0005","5.6049","0.0007","90","","90","","90","","96.79","0.02","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Si -","- Ni Si -","- Ni4 Si4 -","4","0.5","","Lord, Oliver T.; Thomson, Andrew R.; Wann, Elizabeth T. H.; Wood, Ian G.; Dobson, David P.; Vocadlo, Lidunka","The equation of state of the <i>Pmmn</i> phase of NiSi","Journal of Applied Crystallography","2015","48","6","1914","1920","10.1107/S1600576715020087","powder diffraction","x-ray","0.3738","","","","","","","","","","","0.61","","","","","","","has coordinates","170610","2020-10-21","18:00:00",""
"2300559","13.5559","0.0013","12.2134","0.0012","12.6643","0.0012","90","","118.834","0.0017","90","","1836.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0435","0.0396","","","0.1081","0.1113","","","","","","1.093","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300560","13.5537","0.0016","12.2132","0.0015","12.6619","0.0015","90","","118.836","0.002","90","","1836.1","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0428","0.0393","","","0.107","0.1105","","","","","","1.097","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300561","13.5559","0.0013","12.2134","0.0012","12.6643","0.0012","90","","118.834","0.0017","90","","1836.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0463","0.0429","","","0.1237","0.1265","","","","","","1.115","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300562","8.896","0.002","6.913","0.0019","16.439","0.005","90","","98.29","0.003","90","","1000.4","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 N4 -","- C12 H4 N4 -","- C48 H16 N16 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0357","0.0338","","","0.0943","0.0963","","","","","","1.087","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300563","8.884","0.0012","6.9036","0.0009","16.421","0.002","90","","98.241","0.002","90","","996.7","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 N4 -","- C12 H4 N4 -","- C48 H16 N16 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0362","0.0338","","","0.0966","0.0992","","","","","","1.084","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300564","8.896","0.002","6.913","0.0019","16.439","0.005","90","","98.29","0.003","90","","1000.4","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 N4 -","- C12 H4 N4 -","- C48 H16 N16 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0377","0.036","","","0.1059","0.1075","","","","","","1.09","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300565","9.7935","0.0007","19.0055","0.0013","18.2997","0.0013","90","","94.7996","0.0011","90","","3394.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu O6 -","- C18 H17 Cu O6 -","- C144 H136 Cu8 O48 -","8","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0328","0.026","","","0.0619","0.065","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","170611","2020-10-21","18:00:00",""
"2300566","9.7936","0.0007","18.9973","0.0012","18.2982","0.0012","90","","94.84","0.001","90","","3392.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu O6 -","- C18 H17 Cu O6 -","- C144 H136 Cu8 O48 -","8","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.038","0.0276","","","0.0642","0.0681","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","170611","2020-10-21","18:00:00",""
"2300567","9.7935","0.0007","19.0055","0.0013","18.2997","0.0013","90","","94.7996","0.0011","90","","3394.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu O6 -","- C18 H17 Cu O6 -","- C144 H136 Cu8 O48 -","8","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0342","0.0273","","","0.0676","0.0704","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","170611","2020-10-21","18:00:00",""
"2300568","11.3068","0.0012","14.9595","0.0016","16.7252","0.0017","90","","93.05","0.0015","90","","2825","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Mg N4 O4 -","- C34 H26 Mg N4 O4 -","- C136 H104 Mg4 N16 O16 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0475","0.0399","","","0.103","0.1091","","","","","","1.017","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300569","11.3182","0.0014","14.9745","0.0018","16.744","0.002","90","","93.044","0.002","90","","2833.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Mg N4 O4 -","- C34 H26 Mg N4 O4 -","- C136 H104 Mg4 N16 O16 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0499","0.0403","","","0.1046","0.1112","","","","","","1.034","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300570","11.3068","0.0012","14.9595","0.0016","16.7252","0.0017","90","","93.05","0.0015","90","","2825","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Mg N4 O4 -","- C34 H26 Mg N4 O4 -","- C136 H104 Mg4 N16 O16 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0483","0.0407","","","0.109","0.1149","","","","","","1.03","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300571","5.9633","0.0001","9.0417","0.0002","18.4007","0.0004","90","","90","","90","","992.14","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0256","0.0249","","","0.0661","0.0668","","","","","","1.078","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300572","5.9641","0.0002","9.0419","0.0002","18.4027","0.0005","90","","90","","90","","992.4","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0261","0.0252","","","0.0667","0.0674","","","","","","1.105","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300573","5.9633","0.0001","9.0417","0.0002","18.4007","0.0004","90","","90","","90","","992.14","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0262","0.0254","","","0.0674","0.068","","","","","","1.089","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300574","10.215","0.002","12.322","0.002","17.351","0.003","101.57","0.02","91.25","0.02","112.02","0.02","1972.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.02","0.02","","","","0.021","","","","","","1.398","","","","has coordinates","170611","2020-10-21","18:00:00",""
"2300575","10.215","0.002","12.322","0.002","17.351","0.003","101.57","0.02","91.25","0.02","112.02","0.02","1972.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.021","0.021","","","","0.025","","","","","","1.67","","","","has coordinates","170611","2020-10-21","18:00:00",""
"2300588","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.022","0.019","","","","0.033","","","","","","2.71","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300589","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.02","0.016","","","","0.033","","","","","","3.156","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300590","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.022","0.018","","","","0.035","","","","","","3.156","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300591","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.02","0.017","","","","0.034","","","","","","3.015","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300592","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","15","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.016","0.014","","","","0.036","","","","","","2.024","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300593","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.016","0.013","","","","0.024","","","","","","2.671","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2300594","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.016","","","","0.028","","","","","","3.38","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300595","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.016","0.014","","","","0.024","","","","","","2.988","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300596","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.016","","","","0.036","","","","","","2.139","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300597","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.017","0.015","","","","0.034","","","","","","2.155","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300598","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.016","","","","0.035","","","","","","2.408","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
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"2300600","10.225","0.002","12.336","0.003","17.371","0.004","101.58","0.03","91.21","0.04","111.99","0.04","1979.1","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.022","0.017","","","","0.03","","","","","","2.003","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300601","10.225","0.002","12.336","0.003","17.371","0.004","101.58","0.03","91.21","0.04","111.99","0.04","1979.1","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.021","0.015","","","","0.027","","","","","","1.859","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300602","10.225","0.002","12.336","0.003","17.371","0.004","101.58","0.03","91.21","0.04","111.99","0.04","1979.1","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.023","0.017","","","","0.027","","","","","","2.076","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
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"2300605","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.03","1974.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.017","0.012","","","","0.022","","","","","","1.614","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
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