# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T01:07:59+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 'Journal of Applied Crystallography') 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
"2300304","4.736","0.003","10.819","0.005","12.206","0.006","89.727","0.015","78.904","0.014","89.977","0.018","613.7","0.6","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C28 H28 O4 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.2348","0.0988","","","0.246","0.3207","","","","","","0.98","","2300305","warnings","has coordinates","301808","2025-08-19","18:56:14",""
"2300305","24.003","0.003","4.7435","0.0006","10.8255","0.0012","90","","90.185","0.004","90","","1232.6","0.3","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","0.5","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0537","0.036","","","0.1045","0.1321","","","","","","1.162","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300306","24.012","0.003","4.7429","0.0005","10.8321","0.0013","90","","90.197","0.004","90","","1233.6","0.3","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","0.5","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0439","0.0375","","","0.1154","0.1217","","","","","","1.204","","2300305","warnings","has coordinates","301808","2025-08-19","18:56:14",""
"2300307","10.1","0.002","11.365","0.002","11.3","0.002","90","","97.464","0.005","90","","1286.1","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0484","0.0325","","","0.0761","0.0847","","","","","","1.031","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300309","10.1414","0.0009","11.3865","0.0009","11.3289","0.0009","90","","97.4","0.003","90","","1297.31","0.19","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0578","0.0384","","","0.1161","0.1469","","","","","","1.08","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300310","10.1385","0.0011","11.3898","0.0011","11.3325","0.0012","90","","97.467","0.004","90","","1297.5","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0497","0.0346","","","0.0926","0.1149","","","","","","1.089","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300311","10.1375","0.0011","11.3871","0.0014","11.3412","0.0014","90","","97.482","0.004","90","","1298","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0582","0.0375","","","0.098","0.1222","","","","","","1.087","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300312","10.137","0.003","11.413","0.004","11.345","0.003","90","","97.465","0.011","90","","1301.4","0.7","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.068","0.0397","","","0.0967","0.1252","","","","","","1.093","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300313","9.356","0.002","9.9295","0.0019","19.357","0.004","90","","90.47","0.007","90","","1798.2","0.6","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 N2 Pd -","- C17 H20 Cl2 N2 Pd -","- C68 H80 Cl8 N8 Pd4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0462","0.0388","","","0.1083","0.121","","","","","","1.185","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300314","9.356","0.002","9.9295","0.0019","19.357","0.004","90","","90.47","0.007","90","","1798.2","0.6","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 N2 Pd -","- C17 H20 Cl2 N2 Pd -","- C68 H80 Cl8 N8 Pd4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.046","0.0387","","","0.1073","0.1204","","","","","","1.151","","","","has coordinates","297475","2025-01-27","15:33:39",""
"2300315","8.5305","0.0011","9.6211","0.0014","10.988","0.0016","72.593","0.004","78.78","0.005","83.039","0.004","842.2","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 Pd -","- C16 H18 Cl2 N2 Pd -","- C32 H36 Cl4 N4 Pd2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0307","0.0235","","","0.0699","0.0986","","","","","","1.449","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300316","8.5305","0.0011","9.6211","0.0014","10.988","0.0016","72.593","0.004","78.78","0.005","83.039","0.004","842.2","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 Pd -","- C16 H18 Cl2 N2 Pd -","- C32 H36 Cl4 N4 Pd2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.029","0.0218","","","0.0637","0.0913","","","","","","1.227","","","","has coordinates","297475","2025-01-27","15:33:39",""
"2300317","8.007","0.002","16.958","0.005","8.031","0.002","90","","95.097","0.01","90","","1086.2","0.5","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0726","0.0466","","","0.1249","0.1517","","","","","","1.082","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300318","8.007","0.002","16.958","0.005","8.031","0.002","90","","95.097","0.01","90","","1086.2","0.5","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0725","0.0466","","","0.1257","0.1527","","","","","","1.066","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300319","8.894","0.004","16.22","0.008","7.742","0.003","90","","90.214","0.014","90","","1116.9","0.9","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0852","0.0462","","","0.1222","0.1646","","","","","","1.062","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300320","8.894","0.004","16.22","0.008","7.742","0.003","90","","90.214","0.014","90","","1116.9","0.9","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0852","0.0463","","","0.1261","0.1689","","","","","","1.01","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300321","12.8651","0.0014","15.3291","0.0014","7.1435","0.0008","90","","93.379","0.004","90","","1406.3","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0632","0.04","","","0.1082","0.133","","","","","","1.079","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300322","12.8651","0.0014","15.3291","0.0014","7.1435","0.0008","90","","93.379","0.004","90","","1406.3","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0631","0.04","","","0.1123","0.1384","","","","","","0.974","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300323","11.7771","0.0007","11.4544","0.0006","14.9031","0.0009","90","","95.945","0.001","90","","1999.6","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 S2 -","- C21 H21 N O3 S2 -","- C84 H84 N4 O12 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0373","0.0313","","","0.0791","0.0851","","","","","","1.027","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300324","11.7937","0.0009","11.4816","0.0007","14.9358","0.0012","90","","95.972","0.003","90","","2011.5","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 S2 -","- C21 H21 N O3 S2 -","- C84 H84 N4 O12 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0632","0.0428","","","0.1225","0.1414","","","","","","1.124","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300325","11.7937","0.0009","11.4816","0.0007","14.9358","0.0012","90","","95.972","0.003","90","","2011.5","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 S2 -","- C21 H21 N O3 S2 -","- C84 H84 N4 O12 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0631","0.0427","","","0.1232","0.1425","","","","","","1.097","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300326","8.3649","0.0016","5.5063","0.001","25.129","0.004","90","","90","","90","","1157.4","0.4","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O S -","- C13 H10 F2 O S -","- C52 H40 F8 O4 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0449","0.0338","","","0.0886","0.1182","","","","","","1.19","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300327","7.55","0.0016","11.186","0.003","13.954","0.003","90","","92.938","0.008","90","","1176.9","0.5","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0594","0.0404","","","0.1017","0.1253","","","","","","1.227","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300328","7.4946","0.0011","7.7421","0.0011","11.4816","0.0016","95.418","0.003","103.879","0.003","96.985","0.003","636.65","0.16","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 I N O2 S -","- C13 H10 I N O2 S -","- C26 H20 I2 N2 O4 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0324","0.0275","","","0.0633","0.0659","","","","","","1.047","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300329","7.5076","0.0015","7.76","0.002","11.507","0.003","95.317","0.008","103.999","0.007","97.013","0.007","640.4","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 I N O2 S -","- C13 H10 I N O2 S -","- C26 H20 I2 N2 O4 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0431","0.0303","","","0.0723","0.0966","","","","","","1.076","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300330","7.5076","0.0015","7.76","0.002","11.507","0.003","95.317","0.008","103.999","0.007","97.013","0.007","640.4","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 I N O2 S -","- C13 H10 I N O2 S -","- C26 H20 I2 N2 O4 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0431","0.0303","","","0.0724","0.0967","","","","","","1.071","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300331","9.583","0.0012","6.9252","0.0008","11.8518","0.0015","90","","103.815","0.003","90","","763.78","0.16","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O3 S -","- C7 H5 N O3 S -","- C28 H20 N4 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0364","0.0308","","","0.0767","0.0806","","","","","","1.061","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300332","9.6083","0.0016","6.9347","0.001","11.882","0.002","90","","103.834","0.006","90","","768.7","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O3 S -","- C7 H5 N O3 S -","- C28 H20 N4 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.059","0.0386","","","0.1067","0.1375","","","","","","1.171","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300333","9.6083","0.0016","6.9347","0.001","11.882","0.002","90","","103.834","0.006","90","","768.7","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H0 N O3 S -","- C7 H4 N O3 S -","- C28 H16 N4 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0798","0.0593","","","0.1663","0.1968","","","","","","1.075","","","warnings","has coordinates","297475","2025-01-27","15:33:39",""
"2300334","7.7617","0.0015","12.912","0.003","15.663","0.003","90","","95.141","0.006","90","","1563.4","0.6","296","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","2","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.038","0.0256","","","0.0522","0.0561","","","","","","1.022","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300335","7.7617","0.0015","12.912","0.003","15.663","0.003","90","","95.141","0.006","90","","1563.4","0.6","296","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 I2 N4 O4 -","- C12 H6 I2 N4 O4 -","- C48 H24 I8 N16 O16 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0459","0.033","","","0.0877","0.1043","","","","","","1.037","","","warnings","has coordinates","297475","2025-01-27","15:33:39",""
"2300336","7.7598","0.001","9.9684","0.0013","18.231","0.002","90","","90","","90","","1410.2","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0539","0.0372","","","0.0759","0.0814","","","","","","1.052","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300338","7.7592","0.001","9.9677","0.0013","18.23","0.002","90","","90","","90","","1409.9","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0574","0.0397","","","0.0917","0.1126","","","","","","1.136","","","warnings","has coordinates","297475","2025-01-27","15:33:39",""
"2300339","7.811","0.004","17.503","0.01","15.892","0.009","90","","103.305","0.017","90","","2114","2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O5 S2 -","- C17 H23 N3 O5 S2 -","- C68 H92 N12 O20 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0632","0.0453","","","0.1248","0.1418","","","","","","1.12","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300341","7.811","0.004","17.503","0.01","15.892","0.009","90","","103.305","0.017","90","","2114","2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O5 S2 -","- C17 H23 N3 O5 S2 -","- C68 H92 N12 O20 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0692","0.0517","","","0.1686","0.2","","","","","","0.814","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300342","5.6095","0.001","7.3299","0.0015","12.491","0.002","90","","93.297","0.005","90","","512.74","0.16","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H12 N4 O3 S -","- C7 H12 N4 O3 S -","- C14 H24 N8 O6 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0337","0.0305","","","0.0704","0.0725","","","","","","1.134","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300344","5.6245","0.0017","7.354","0.003","12.521","0.005","90","","93.445","0.013","90","","517","0.3","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H12 N4 O3 S -","- C7 H12 N4 O3 S -","- C14 H24 N8 O6 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0614","0.0458","","","0.085","0.092","","","","","","0.999","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300345","5.6245","0.0017","7.354","0.003","12.521","0.005","90","","93.445","0.013","90","","517","0.3","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H8 N4 O S -","- C7 H6 N3 O4 S -","- C14 H12 N6 O8 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.1073","0.0865","","","0.2132","0.228","","","","","","0.993","","","warnings","has coordinates","297475","2025-01-27","15:33:39",""
"2300346","10.2699","0.001","11.1605","0.001","11.1911","0.0012","85.945","0.003","67.75","0.003","70.671","0.003","1118.07","0.19","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O P S -","- C25 H22 N O P S -","- C50 H44 N2 O2 P2 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0568","0.039","","","0.0941","0.1104","","","","","","1.047","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300347","10.2699","0.001","11.1605","0.001","11.1911","0.0012","85.945","0.003","67.75","0.003","70.671","0.003","1118.07","0.19","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O P S -","- C25 H22 N O P S -","- C50 H44 N2 O2 P2 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0594","0.04","","","0.1145","0.1462","","","","","","1.008","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300348","10.259","0.003","11.05","0.004","13.38","0.005","67.808","0.008","87.291","0.008","67.435","0.007","1288.4","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","2","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0949","0.0619","","","0.1961","0.2657","","","","","","1.104","","","","has coordinates,has disorder","301808","2025-08-19","18:56:14",""
"2300349","10.289","0.0011","11.0563","0.0012","13.4402","0.0015","67.823","0.003","87.573","0.004","67.616","0.003","1299.9","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","2","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0722","0.055","","","0.1528","0.1737","","","","","","1.012","","","","has coordinates,has disorder","301808","2025-08-19","18:56:14",""
"2300351","10.289","0.0011","11.0563","0.0012","13.4402","0.0015","67.823","0.003","87.573","0.004","67.616","0.003","1299.9","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","2","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0975","0.0767","","","0.2011","0.2269","","","","","","1.042","","","","has coordinates","297475","2025-01-27","15:33:39",""
"2300352","10.4008","0.0004","6.0523","0.0002","4.7324","0.0002","90","","90","","90","","297.91","0.02","618","","618","","25000","","25000","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe1.006 Li1.006 O4 P -","- Fe4.024 Li4.024 O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.99814","","","","","","","","","","","","","","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2300353","10.3789","0.0001","6.0394","0.0001","4.7211","0.0001","90","","90","","90","","295.931","0.008","618","","618","","25000","","25000","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.75 Li Mn0.25 O4 P -","- Fe0.75 Li Mn0.25 O4 P -","- Fe3 Li4 Mn O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.94449","","","","","","","","","","","","","","","","","","has coordinates","287987","2023-12-04","13:58:22",""
"2300354","10.4072","0.0003","6.06188","0.00014","4.73357","0.00013","90","","90","","90","","298.628","0.014","618","","618","","25000","","25000","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.5 Li Mn0.5 O4 P -","- Fe0.5 Li Mn0.5 O4 P -","- Fe2 Li4 Mn2 O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.94449","","","","","","","","","","","","","","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2300355","10.4303","0.0003","6.08084","0.00019","4.74531","0.00018","90","","90","","90","","300.971","0.017","618","","618","","25000","","25000","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.25 Li Mn0.75 O4 P -","- Fe0.25 Li Mn0.75 O4 P -","- Fe Li4 Mn3 O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.94449","","","","","","","","","","","","","","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2300356","6.0514","0.0002","3.5482","0.0016","11.996","0.004","90","","106.26","0.03","90","","247.27","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","alpha oxalic acid dihydrate","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","KO5139","Chakoumakos, Bryan C.; Cao, Huibo; Ye, Feng; Stoica, Alexandru D.; Popovici, Mihai; Sundaram, Madhan; Zhou, Wenduo; Hicks, J. Steve; Lynn, Gary W.; Riedel, Richard A.","Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor","Journal of Applied Crystallography","2011","44","3","655","658","10.1107/S0021889811012301","","neutron","1","neutron","","0.1877","0.0563","","","0.1505","0.1721","","","","","","0.956","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300357","8.8647","0.0003","8.8647","0.0003","11.3595","0.0004","90","","90","","120","","773.07","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C12 H48 N16 Ni2 O12 -","2","0.166667","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.035","0.0273","","","0.0396","0.0401","","","","","","2.305","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300358","8.8647","0.0003","8.8647","0.0003","11.3595","0.0004","90","","90","","120","","773.07","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C12 H48 N16 Ni2 O12 -","2","0.166667","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.0358","0.03","","","0.1203","0.1254","","","","","","1.022","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300359","8.806","0.005","8.806","0.005","33.147","0.005","90","0.005","90","0.005","120","0.005","2226","1.8","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C36 H144 N48 Ni6 O36 -","6","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71069","MoKα","","0.0301","0.028","","","0.1019","0.1045","","","","","","0.897","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300360","8.806","0.005","8.806","0.005","33.147","0.005","90","0.005","90","0.005","120","0.005","2226","1.8","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C36 H144 N48 Ni6 O36 -","6","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71069","MoKα","","0.0326","0.031","","","0.1154","0.1174","","","","","","1.014","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300361","8.8647","0.0003","8.8647","0.0003","11.3595","0.0004","90","","90","","120","","773.07","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C12 H48 N16 Ni2 O12 -","2","0.166667","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.0627","0.0439","","","0.054","0.0566","","","","","","2.262","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300362","15.805","0.009","5.6535","0.0018","12.126","0.009","90","","107.55","0.04","90","","1033.1","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O8 -","- C8 H14 N2 O8 -","- C32 H56 N8 O32 -","4","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.038","0.03","","","","0.036","","","","","","2.964","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300363","15.8205","0.00011","5.68202","0.00003","12.09246","0.00008","90","","107.333","0.0008","90","","1037.66","0.012","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O8 -","- C8 H14 N2 O8 -","- C32 H56 N8 O32 -","4","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.016","0.015","","","","0.01","","","","","","1.452","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300364","15.82035","0.00012","5.68088","0.00003","12.09343","0.00008","90","","107.332","0.0008","90","","1037.53","0.013","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O8 -","- C8 H14 N2 O8 -","- C32 H56 N8 O32 -","4","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.022","0.021","","","","0.013","","","","","","2.028","","","","has coordinates","301808","2025-08-19","18:56:14",""