# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-04T09:43:20+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 'ACS central science') AND volume = 6 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
"4517996","10.1184","0.0006","15.462","0.0008","21.5377","0.001","71.492","0.002","78.041","0.002","81.087","0.002","3111.5","0.3","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H99 B Fe Mo N11 O P Si3 -","- C52 H99 B Fe Mo N11 O P Si3 -","- C104 H198 B2 Fe2 Mo2 N22 O2 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1333","0.0749","","0.2009","0.1655","0.2009","","","","","","0.971","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517997","19.4151","0.0009","12.4197","0.0005","12.5653","0.0005","90","","90","","90","","3029.9","0.2","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H48 Mo N5 P Si4 -","- C18 H48 Mo N5 P Si4 -","- C72 H192 Mo4 N20 P4 Si16 -","4","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0349","0.0288","","0.0657","0.0626","0.0657","","","","","","0.9885","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517998","25.3056","0.0015","19.7149","0.0015","13.1491","0.0008","90","","106.942","0.004","90","","6275.3","0.7","173","2","173.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C49 H72 Mo N5 P4 Rh Si3 -","- C49 H72 Mo N5 P4 Rh Si3 -","- C196 H288 Mo4 N20 P16 Rh4 Si12 -","4","0.5","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0974","0.0618","","","0.1594","0.1944","","","","","","1.09","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517999","15.583","0.0006","15.7178","0.0007","20.182","0.0009","90.53","0.001","102.107","0.001","114.559","0.001","4370.1","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.937 H143.748 B Fe Mo N14 O0.563 P Si3 -","- C149.874 H287.496 B2 Fe2 Mo2 N28 O1.126 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1089","0.0712","","","0.1811","0.2153","","","","","","1.072","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518000","15.5835","0.0006","15.7173","0.0007","20.184","0.0009","90.529","0.001","102.106","0.001","114.564","0.001","4370.4","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.938 H143.752 B Fe Mo N14 O0.562 P Si3 -","- C149.876 H287.504 B2 Fe2 Mo2 N28 O1.124 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1095","0.0713","","","0.1808","0.216","","","","","","1.069","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518001","15.5829","0.0006","15.7156","0.0007","20.1841","0.0009","90.527","0.001","102.106","0.001","114.566","0.001","4369.7","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144.01 B Fe Mo N14 O0.5 P Si3 -","- C75.002 H144.008 B Fe Mo N14 O0.498 P Si3 -","- C150.004 H288.016 B2 Fe2 Mo2 N28 O0.996 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0979","0.0628","","","0.1754","0.199","","","","","","1.026","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518002","15.5851","0.0006","15.7181","0.0007","20.1884","0.0009","90.525","0.001","102.11","0.001","114.568","0.001","4371.8","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144 B Fe Mo N14 O0.5 P Si3 -","- C75.001 H144.004 B Fe Mo N14 O0.499 P Si3 -","- C150.002 H288.008 B2 Fe2 Mo2 N28 O0.998 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1108","0.0707","","","0.1961","0.2312","","","","","","1.077","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518003","15.5853","0.0006","15.718","0.0007","20.1871","0.0009","90.525","0.001","102.105","0.001","114.569","0.001","4371.6","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.99 H143.98 B Fe Mo N14 O0.51 P Si3 -","- C74.994 H143.976 B Fe Mo N14 O0.506 P Si3 -","- C149.988 H287.952 B2 Fe2 Mo2 N28 O1.012 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1118","0.0712","","","0.1974","0.2322","","","","","","1.078","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518004","15.5855","0.0006","15.7156","0.0007","20.2048","0.0009","90.537","0.001","102.134","0.001","114.548","0.001","4374.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.96 H143.82 B Fe Mo N14 O0.54 P Si3 -","- C74.957 H143.828 B Fe Mo N14 O0.543 P Si3 -","- C149.914 H287.656 B2 Fe2 Mo2 N28 O1.086 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1115","0.073","","","0.1876","0.2238","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518005","15.5883","0.0006","15.7107","0.0007","20.2311","0.0009","90.545","0.001","102.223","0.001","114.537","0.001","4378.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.03 H144.11 B Fe Mo N14 O0.47 P Si3 -","- C75.031 H144.124 B Fe Mo N14 O0.469 P Si3 -","- C150.062 H288.248 B2 Fe2 Mo2 N28 O0.938 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.115","0.0719","","","0.1964","0.2309","","","","","","1.066","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518006","15.5911","0.0006","15.7056","0.0007","20.2558","0.0009","90.557","0.001","102.29","0.001","114.548","0.001","4381.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.98 H143.92 B Fe Mo N14 O0.52 P Si3 -","- C74.981 H143.924 B Fe Mo N14 O0.519 P Si3 -","- C149.962 H287.848 B2 Fe2 Mo2 N28 O1.038 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1116","0.0721","","","0.186","0.2224","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518007","15.5964","0.0007","15.705","0.0007","20.2728","0.001","90.555","0.001","102.339","0.001","114.568","0.001","4384.6","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.17 B Fe Mo N14 O0.46 P Si3 -","- C75.045 H144.18 B Fe Mo N14 O0.455 P Si3 -","- C150.09 H288.36 B2 Fe2 Mo2 N28 O0.91 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1172","0.0733","","","0.1988","0.2361","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518008","15.5984","0.0007","15.7039","0.0007","20.2878","0.001","90.557","0.001","102.371","0.001","114.583","0.001","4386.8","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.15 B Fe Mo N14 O0.46 P Si3 -","- C75.037 H144.148 B Fe Mo N14 O0.463 P Si3 -","- C150.074 H288.296 B2 Fe2 Mo2 N28 O0.926 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1188","0.0739","","","0.1999","0.2369","","","","","","1.061","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518009","15.6007","0.0007","15.7039","0.0007","20.3019","0.001","90.554","0.001","102.407","0.001","114.596","0.001","4389.3","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.18 B Fe Mo N14 O0.45 P Si3 -","- C75.044 H144.176 B Fe Mo N14 O0.456 P Si3 -","- C150.088 H288.352 B2 Fe2 Mo2 N28 O0.912 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1211","0.0744","","","0.1997","0.2388","","","","","","1.04","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518010","15.6017","0.0011","15.7015","0.0012","20.3141","0.0016","90.572","0.002","102.466","0.002","114.617","0.002","4389.3","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.21 B Fe Mo N14 O0.45 P Si3 -","- C75.05 H144.2 B Fe Mo N14 O0.45 P Si3 -","- C150.1 H288.4 B2 Fe2 Mo2 N28 O0.9 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1278","0.0772","","","0.2077","0.2502","","","","","","1.023","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""