# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:39:15+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 Synchrotron Radiation') AND volume = 29 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
"1565717","14.5406","0.0012","13.2405","0.0007","17.1497","0.0012","90","","108.962","0.008","90","","3122.6","0.4","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 P2 S2 -","- C36 H30 P2 S2 -","- C144 H120 P8 S8 -","4","1","YW5001","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","0.71073","MoKα","","0.1177","0.0669","","","0.1122","0.1312","","","","","","1.044","","","","has coordinates,has Fobs","272819","2022-02-06","04:39:56",""
"1565718","8.7782","0.0003","13.264","0.0005","15.3166","0.0004","87.778","0.003","88.384","0.003","75.173","0.003","1722.39","0.1","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 F6 P2 S2 -","- C38 H28 F6 P2 S2 -","- C76 H56 F12 P4 S4 -","2","1","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","1.54184","CuKα","","0.0485","0.041","","","0.1049","0.1114","","","","","","1.042","","","","has coordinates,has Fobs","272819","2022-02-06","04:39:58",""
"1565719","11.5443","0.0003","11.6402","0.0003","13.0973","0.0003","113.227","0.002","110.729","0.002","92.865","0.002","1475.39","0.08","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 O3 P2 S4 U -","- C26 H26 O3 P2 S4 U -","- C52 H52 O6 P4 S8 U2 -","2","1","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","0.71073","MoKα","","0.0375","0.031","","","0.0573","0.0598","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","272819","2022-02-06","04:39:59",""
"1565720","16.5607","0.0006","8.1303","0.0003","59.7044","0.0013","90","","90","","90","","8038.8","0.5","173","0.1","173","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H28 F12 O4 P2 S4 U -","- C32 H28 F12 O4 P2 S4 U -","- C256 H224 F96 O32 P16 S32 U8 -","8","2","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","1.54184","CuKα","","0.0791","0.0672","","","0.1675","0.1779","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","272819","2022-02-06","04:39:59",""
"1566757","5.1815","0.0002","18.2321","0.0011","8.8085","0.0005","90","","90","","90","","832.14","0.08","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Magnesium iron aluminium catena-alumosilicate","Magnesium iron aluminium catena-alumosilicate","Enstatite","- Al0.067 Fe0.067 Mg1.94 O6 Si1.93 -","- Al0.067 Fe0.067 Mg1.933 O6 Si1.933 -","- Al0.536 Fe0.536 Mg15.464 O48 Si15.464 -","8","1","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0327","0.0253","","","0.0364","0.0391","","","","1.85","1.85","1.87","","","","has coordinates,has Fobs","275879","2022-06-07","14:05:49",""
"1566758","4.194","0.002","4.525","0.001","6.191","0.0001","90","","90","","90","","117.49","0.06","293","","293","","","","","","","","high-pressure high-temperature synthesis","4","P b n m","-P 2c 2ab","62","magnesium iron catena-silicate","magnesium iron catena-silicate","","- Fe0.091 Mg0.909 O3 Si -","- Fe0.091 Mg0.909 O3 Si -","- Fe0.364 Mg3.636 O12 Si4 -","4","0.5","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0417","0.0412","","","0.1144","0.1146","","","","3.68","3.68","3.55","","","","has coordinates","275879","2022-06-07","14:05:50",""
"1566759","9.036","0.0001","9.036","0.0001","9.036","0.0001","90","","90","","90","","737.783","0.014","293","","293","","","","","","","","","2","I m -3","-I 2 2 3","204","Cobalt antimonide (1/3)","Cobalt antimonide (1/3)","","- Co Sb3 -","- Co Sb3 -","- Co8 Sb24 -","8","0.166667","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0154","0.0121","","","0.0324","0.0431","","","","1.06","1.06","1.34","","","","has coordinates","275879","2022-06-07","14:05:50",""
"1567506","4.251","0.0002","4.251","0.0002","11.772","0.012","90","","90","","120","","184.23","0.19","293","","293","","103300000","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B Fe O3 -","- B Fe O3 -","- B6 Fe6 O18 -","6","0.166667","","Dong, Weiwei; Glazyrin, Konstantin; Khandarkhaeva, Saiana; Fedotenko, Timofey; Bednarčík, Jozef; Greenberg, Eran; Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Liermann, Hanns-Peter","Fe~0.79~Si~0.07~B~0.14~ metallic glass gaskets for high-pressure research beyond 1Mbar","Journal of Synchrotron Radiation","2022","29","5","1167","1179","10.1107/S1600577522007573","","x-ray","0.2898","synchrotron","","0.0576","0.0576","","","0.122","0.122","","","","3.66","3.66","3.66","","","","has coordinates,has Fobs","278499","2022-10-08","16:32:38",""