# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:55:37+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 the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)') AND volume = 1970 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
"1510200","9.21","","7.14","","10.04","","90","","128.6","","90","","515.979","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K (Au (N O3)4)","","- Au K N4 O12 -","- Au K N4 O12 -","- Au2 K2 N8 O24 -","2","0.5","","Garner, C.D.; Wallwork, S.C.","The crystal structure of anhydrous nitrates and their complexes. Part V. Potassium tetranitratoaurate(III)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","3092","3095","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1527108","13.12","","7.97","","10.29","","90","","90","","90","","1075.99","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Co (N H3)5 S2 O3) Cl H2 O","","- Cl Co H17 N5 O4 S2 -","- Cl Co H17 N5 O4 S2 -","- Cl4 Co4 H68 N20 O16 S8 -","4","0.5","","Baggio, S.","Crystal and molecular structure of thiosulfatopentaamminecobalt(III) chloride monohydrate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","2384","2387","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527305","8.278","","6.092","","6.923","","85.96","","104.3","","111.24","","315.256","","","","","","","","","","","","","3","P -1","-P 1","2","","W S Cl4","","- Cl4 S W -","- Cl4 S W -","- Cl8 S2 W2 -","2","1","","Drew, M.G.B.; Mandyczewsky, R.","Crystal and molecular structures of tungsten(VI) sulfide tetrachloride and tungsten(VI) sulfide tetrabromide","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","2815","2818","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527306","9.642","","6.024","","12.776","","90","","109.17","","90","","700.924","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","W S Br4","","- Br4 S W -","- Br4 S W -","- Br16 S4 W4 -","4","1","","Drew, M.G.B.; Mandyczewsky, R.","Crystal and molecular structures of tungsten(VI) sulfide tetrachloride and tungsten(VI) sulfide tetrabromide","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","2815","2818","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527307","5.732","","13.34","","6.029","","90","","93.79","","90","","459.999","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Mo O Cl3","","- Cl3 Mo O -","- Cl3 Mo O -","- Cl12 Mo4 O4 -","4","1","","Drew, M.G.B.; Tomkins, I.B.","Crystal and molecular structure of molybdenum(V) oxide trichloride","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","22","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527327","4.95","","7.46","","7.26","","90","","90","","90","","268.09","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","Sb F3","","- F3 Sb -","- F3 Sb -","- F12 Sb4 -","4","0.5","","Edwards, A.J.","Fluoride crystal structures. Part XIV. Antimony trifluoride: A redetermination","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","2751","2753","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527328","9","","9","","7.92","","90","","90","","120","","555.573","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Tc O F4","","- F4 O Tc -","- F4 O Tc -","- F24 O6 Tc6 -","6","0.5","","Edwards, A.J.; Jones, G.R.; Sills, R.J.C.","Fluride crystal structures. Part XII. Trimeric technetium oxide tetrafluoride","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","2521","2523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527336","10.414","","11.164","","14.674","","90","","96.7","","90","","1694.38","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Sn Cl3) Ru2 Cl3 (C O)5","","- C5 Cl6 O5 Ru2 Sn -","- C5 Cl6 O5 Ru2 Sn -","- C20 Cl24 O20 Ru8 Sn4 -","4","1","","Elder, M.; Hall, D.","Crystal and molecular structure of tri-mue-chloropentacarbonyltrichlorostannyl diruthenium","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","245","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527678","10.433","","10.871","","12.588","","90","","90","","90","","1427.69","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(N H4)4 (P4 O12)","","- H16 N4 O12 P4 -","- H16 N4 O12 P4 -","- H64 N16 O48 P16 -","4","","","Koster, D.A.; Wagner, A.J.","Reinvestigation of the crystal structure of ammonium tetracyclo-phosphate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","435","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","149365","2020-10-21","18:00:00",""
"1527892","8.972","","5.996","","7.542","","90","","90","","90","","405.73","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","N H4 S O3 F","","- F H4 N O3 S -","- F H4 N O3 S -","- F4 H16 N4 O12 S4 -","4","0.5","","O'Sullivan, K.; Thompson, R.C.; Trotter, J.","Crystal structure of ammonium fluorosulfate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1814","1817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528131","11.18","","5.776","","18.06","","90","","90","","90","","1166.24","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K3 (N (S O3)3) (H2 O)2","","- H4 K3 N O11 S3 -","- H4 K3 N O11 S3 -","- H16 K12 N4 O44 S12 -","4","0.5","","Tillack, J.V.; Kennard, C.H.L.","Crystal structure of potassium nitrilotrisulfonate dihydrate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1637","1640","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1533110","7.6","","17.38","","8.8","","90","","103.4","","90","","1130.73","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Se Nb2 F14","","- F14 Nb2 Se -","- F14 Nb2 Se -","- F56 Nb8 Se4 -","4","1","","Edwards, A.J.; Jones, G.R.","Fluoride Crystal Structures. Part X. Trifluoroselenium(IV) mue-Fluoro-bis(pentafluoroniobate(V","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1491","1497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533111","8.99","","8.99","","8.99","","92.9","","92.9","","92.9","","723.683","","","","","","","","","","","","","3","R 3 :R","P 3*","146","","(Se F3) (Nb F6)","","- F9 Nb Se -","- F9 Nb Se -","- F36 Nb4 Se4 -","4","1.33333","","Edwards, A.J.; Jones, G.R.","Fluoride crystal structures. Part XI. Trifluoroselenium(IV) hexafluoroniobate(V) and hexafluorotantalate(V)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1891","1894","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533112","5.6","","10.55","","5.3","","92.1","","91.8","","91.5","","312.642","","","","","","","","","","","","","3","P -1","-P 1","2","","Cl F2 Sb F6","","- Cl F8 Sb -","- Cl F8 Sb -","- Cl2 F16 Sb2 -","2","1","","Edwards, A.J.; Sills, R.J.C.","Fluoride Crystal Structures. Part XIII. Difluorochlorine(III) Hexafluoroantimonate(V)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","2697","2699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541810","12.67","","12.67","","5.19","","90","","90","","120","","721.525","","","","","","","","","","","","","4","P 63","P 6c","173","","Na8.16 (Al6 Si6 O24) (N O3)2.16 (H2 O)1.62","","- Al6 Na8.16 O29.02 Si6 -","- Al6 Na8.16 O29.02 Si6 -","- Al6 Na8.16 O29.02 Si6 -","1","0.166667","","Barrer, R.M.; Cole, J.F.; Villiger, H.","Chemistry of soil minerals. part VII. Synthesis, properties, and crystal structures of salt-filled cancrinites","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1523","1531","","","","","","","","","","","","","","","","","","","","","","has coordinates","173321","2020-10-21","18:00:00",""
"1542106","12.72","","12.72","","5.19","","90","","90","","120","","727.231","","","","","","","","","","","","","3","P 63","P 6c","173","","Na7.14 (Al6 Si7.08 O26.73) (H2 O)4.87","","- Al6 Na7.14 Si6 -","- Al6 Na7.14 Si6 -","- Al6 Na7.14 Si6 -","1","0.166667","","Barrer, R.M.; Cole, J.F.; Villiger, H.","Chemistry of soil minerals. part VII. Synthesis, properties, and crystal structures of salt-filled cancrinites","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","1523","1531","","","","","","","","","","","","","","","","","","","","","","has coordinates","174087","2020-10-21","18:00:00",""