# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-03T00:04:42+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 Solid State Chemistry') AND volume = 215 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
"1562320","8.586","0.003","11.844","0.004","10.333","0.003","90","","98.02","0.004","90","","1040.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dimethylammonium uranyl hydrogenphosphonate phosphonate","","- C2 H11 N O8 P2 U -","- C2 H8 N O8 P2 U -","- C8 H32 N4 O32 P8 U4 -","4","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0937","0.0439","","","0.0777","0.0928","","","","","","0.992","","","","has coordinates","264724","2021-04-30","09:13:08",""
"1562321","6.8274","0.0009","13.4222","0.0017","12.3325","0.0016","90","","99.253","0.002","90","","1115.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Alpha-Uranium (IV) tetra(hydrogenphosphanate)","","- H8 O12 P4 U -","- O12 P4 U -","- O48 P16 U4 -","4","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0493","0.0347","","","0.0802","0.0836","","","","","","1.211","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562322","11.3116","0.0015","7.7632","0.0011","12.4181","0.0017","90","","102.317","0.001","90","","1065.4","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Beta-Uranium (IV) tetra(hydrogenphosphonate)","","- H8 O12 P4 U -","- O12 P4 U -","- O48 P16 U4 -","4","0.5","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0268","0.0214","","","0.0477","0.0497","","","","","","1.278","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562323","6.896","0.003","13.631","0.005","12.518","0.005","90","","99.466","0.005","90","","1160.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Alpha-Thorium (IV) tetra(hydrogenphosphanate)","","- H8 O12 P4 Th -","- O12 P4 Th -","- O48 P16 Th4 -","4","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0712","0.041","","","0.0845","0.096","","","","","","1","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562324","11.437","0.007","7.808","0.007","12.558","0.008","90","","102.253","0.012","90","","1095.9","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Beta-Thorium (IV) tetra(hydrogenphosphonate)","","- H8 O12 P4 Th -","- O12 P4 Th -","- O48 P16 Th4 -","4","0.5","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0723","0.0442","","","0.0781","0.0863","","","","","","1.005","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562325","12.77","0.005","9.622","0.004","17.956","0.007","90","","90","","90","","2206.3","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Uranium monophosphonate di(hydrogenphosphonate) monoaqua dihydrate","","- H11 O12 P3 U -","- O11.5 P3 U -","- O92 P24 U8 -","8","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0964","0.0502","","","0.1134","0.1321","","","","","","1.125","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562326","11.073","0.002","9.2876","0.0017","14.916","0.003","90","","90","","90","","1534","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dithallium dihydrogen disphosphate","","- H2 O7 P2 Tl2 -","- O7 P2 Tl2 -","- O56 P16 Tl16 -","8","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0493","0.0333","","","0.0532","0.0589","","","","","","0.995","","","","has coordinates","264724","2021-04-30","09:13:10",""
"1562327","8.0754","0.0007","9.5524","0.0008","8.5213","0.0007","90","","117.969","0.0009","90","","580.55","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phosphoric acid-acetonitrile","Phosphoric acid-acetonitrile","","- C2 H6 N O4 P -","- C2 H6 N O4 P -","- C8 H24 N4 O16 P4 -","4","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0239","0.0221","","","0.0586","0.0597","","","","","","1.066","","","","has coordinates","264724","2021-04-30","09:13:10",""
"1562328","10.6226","0.0004","11.3403","0.0004","13.0267","0.0005","97.916","0.003","107.979","0.004","98.096","0.003","1450.13","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 Cu2 N12 O20 W6 -","- C48 H40 Cu2 N12 O20 W6 -","- C48 H40 Cu2 N12 O20 W6 -","1","0.5","","Zhang, Mao-Mao; Hao, Xiu-Li; Xu, Li-Jie; Wang, Yong-Hui; Wang, Xin; Li, Yang-Guang","New organic‒inorganic hybrid assemblies based on copper(I) ion, bichelate-bridging ligand and Lindqvist-type polyoxometalate","Journal of Solid State Chemistry","2014","215","","57","66","10.1016/j.jssc.2014.03.023","","","0.71073","MoKα","","0.0485","0.0368","","","0.0746","0.0804","","","","","","0.981","","","","has coordinates","264725","2021-04-30","09:18:06",""
"1562329","13.4","0.003","25.214","0.005","24.064","0.005","90","","91.89","0.03","90","","8126","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl Cu3 N18 O19 W6 -","- C72 H60 Cl Cu3 N18 O19 W6 -","- C288 H240 Cl4 Cu12 N72 O76 W24 -","4","0.5","","Zhang, Mao-Mao; Hao, Xiu-Li; Xu, Li-Jie; Wang, Yong-Hui; Wang, Xin; Li, Yang-Guang","New organic‒inorganic hybrid assemblies based on copper(I) ion, bichelate-bridging ligand and Lindqvist-type polyoxometalate","Journal of Solid State Chemistry","2014","215","","57","66","10.1016/j.jssc.2014.03.023","","","0.71073","MoKα","","0.0824","0.0586","","","0.128","0.1391","","","","","","1.044","","","","has coordinates","264725","2021-04-30","09:18:07",""
"1562330","13.053","0.003","20.646","0.004","22.881","0.005","90","","91.3","0.03","90","","6165","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cu2 N12 O21 W6 -","- C48 H40 Cu2 N12 O21 W6 -","- C192 H160 Cu8 N48 O84 W24 -","4","1","","Zhang, Mao-Mao; Hao, Xiu-Li; Xu, Li-Jie; Wang, Yong-Hui; Wang, Xin; Li, Yang-Guang","New organic‒inorganic hybrid assemblies based on copper(I) ion, bichelate-bridging ligand and Lindqvist-type polyoxometalate","Journal of Solid State Chemistry","2014","215","","57","66","10.1016/j.jssc.2014.03.023","","","0.71073","MoKα","","0.1842","0.0761","","","0.1272","0.1628","","","","","","0.967","","","","has coordinates,has disorder","264725","2021-04-30","09:18:07",""
"1562331","3.90348","0.00005","3.90348","0.00005","19.2641","0.0004","90","","90","","90","","293.53","0.008","1.5","","1.5","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","1","0.0625","","Batuk, Maria; Batuk, Dmitry; Abakumov, Artem M.; Hadermann, Joke","Pb5Fe3TiO11Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination","Journal of Solid State Chemistry","2014","215","","245","252","10.1016/j.jssc.2014.04.002","powder diffraction","","1.8857","neutron","","","","","","","","","4.6844","","","","","","","","has coordinates","264726","2021-04-30","09:32:20",""
"1562332","3.91542","0.00006","3.91542","0.00006","19.3216","0.0004","90","","90","","90","","296.21","0.009","300","","300","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","1","0.0625","","Batuk, Maria; Batuk, Dmitry; Abakumov, Artem M.; Hadermann, Joke","Pb5Fe3TiO11Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination","Journal of Solid State Chemistry","2014","215","","245","252","10.1016/j.jssc.2014.04.002","powder diffraction","","1.8857","neutron","","","","","","","","","15.0469","","","","","","","","has coordinates","264726","2021-04-30","09:32:21",""
"1562333","3.9338","0.00006","3.9338","0.00006","19.3996","0.0004","90","","90","","90","","300.205","0.009","550","","550","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","1","0.0625","","Batuk, Maria; Batuk, Dmitry; Abakumov, Artem M.; Hadermann, Joke","Pb5Fe3TiO11Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination","Journal of Solid State Chemistry","2014","215","","245","252","10.1016/j.jssc.2014.04.002","powder diffraction","","1.8857","neutron","","","","","","","","","5.8108","","","","","","","","has coordinates","264726","2021-04-30","09:32:21",""
"1562334","5.3239","0.001","16.558","0.003","10.639","0.002","90","","93.435","0.004","90","","936.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu N6 O4 -","- C20 H12 Cu N6 O4 -","- C40 H24 Cu2 N12 O8 -","2","0.5","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.1204","0.0752","","","0.1774","0.2088","","","","","","1.022","","","","has coordinates","264727","2021-04-30","09:41:03",""
"1562335","7.593","0.0014","7.6304","0.0014","19.844","0.004","83.935","0.003","81.248","0.003","71.401","0.003","1075","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Cu N6 O4 -","- C20 H18 Cl2 Cu N6 O4 -","- C40 H36 Cl4 Cu2 N12 O8 -","2","1","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.1037","0.0572","","","0.1484","0.2073","","","","","","1.077","","","","has coordinates","264727","2021-04-30","09:41:13",""
"1562336","17.899","0.002","8.0675","0.0012","7.84","0.0011","90","","95.565","0.002","90","","1126.8","0.3","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H20 Cl2 Cu N6 O5 -","- C20 H20 Cl2 Cu N6 O5 -","- C40 H40 Cl4 Cu2 N12 O10 -","2","0.5","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.0367","0.029","","","0.0551","0.0585","","","","","","1.014","","","","has coordinates","264727","2021-04-30","09:41:16",""
"1562337","23.008","0.002","9.4363","0.0009","9.5393","0.0009","90","","104.943","0.001","90","","2001","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N6 O5 -","- C20 H18 Cu N6 O5 -","- C80 H72 Cu4 N24 O20 -","4","0.5","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.0419","0.0328","","","0.0738","0.0786","","","","","","1.053","","","","has coordinates","264727","2021-04-30","09:41:25",""
"1562338","9.7494","0.0018","9.693","0.002","21.815","0.004","90","","90","","90","","2061.5","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H Cu N O -","- C3.53846 H2.76923 Cu0.153846 N0.769231 O0.615385 -","- C92 H72 Cu4 N20 O16 -","26","6.5","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.1118","0.0654","","","0.1539","0.1915","","","","","","1","","","","has coordinates","264727","2021-04-30","09:41:28",""