# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T07:08:33+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 'Inorganic Chemistry') AND volume = 20 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
"4331410","12.999","","7.555","","6.612","","90","","118.84","","90","","568.809","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","","","- Ag3 P11 -","- Ag3 P11 -","- Ag6 P22 -","2","0.5","","Jeitschko, W.; Moeller, M.H.","Preparation and crystal structure of trisilver undecaphosphide, Ag3 P11, an unusual defect tetrahedral compound","Inorganic Chemistry","1981","20","","833","839","10.1021/ic50217a040","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343736","9.908","","9.908","","6.487","","90","","90","","90","","636.819","","","","","","","","","","","","","5","P 4/m c c","-P 4 2c","124","","Tl4 Pt (C N)4 C O3","","- C5 N4 O3 Pt Tl4 -","- C5 N4 O3 Pt Tl4 -","- C10 N8 O6 Pt2 Tl8 -","2","0.125","","Beno, M.A.; Rotella, F.J.; Jorgensen, J.M.; Williams, J.M.","Structural studies of precursor and partially oxidized conducting complexes. 21. Single-crystal and powder time-of-flight neutron diffraction studies of Tl4 (Pt (C N)4)1 C O3","Inorganic Chemistry","1981","20","","1802","1806","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343741","10.751","","12.087","","12.982","","90","","90","","90","","1686.98","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","I Cl2 Sb F6","","- Cl2 F6 I Sb -","- Cl2 F6 I Sb -","- Cl16 F48 I8 Sb8 -","8","","","Birchall, T.; Myers, R.D.","Preparation and crystal structure of (I Cl2)(+) (Sb F6)(-) and iodine-127 Moessbauer spectra of some compounds containing the (I Cl2)(+) cation","Inorganic Chemistry","1981","20","","2207","2211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343755","6.6914","","11.2847","","11.8251","","92.766","","99.096","","101.496","","861.061","","","","","","","","","","","","","6","P -1","-P 1","2","","(N H3)3 Co (O H)2 C O3 Co (N H3)3 S O4 (H2 O)5","","- C H30 Co2 N6 O14 S -","- C H30 Co2 N6 O14 S -","- C2 H60 Co4 N12 O28 S2 -","2","1","","Churchill, M.R.; Koshy, K.; Lashewycz, R.A.; Dasgupta, T.P.","Synthesis, properties, and crystallographic characterization of a dinuclear mue-carbonato complex of cobalt(III): (N H3)3 Co (mue-O H)2 (mue-C O3) Co ( N H3)3 S O4 (H2 O)5","Inorganic Chemistry","1981","20","","376","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343758","23.855","","7.387","","16.763","","90","","129.8","","90","","2269.45","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","((N H3)4 (H2 O) Cr (O H) Cr (N H3)5) Cl5 (H2 O)3","","- Cl5 Cr2 H25 N9 O5 -","- Cl5 Cr2 H25 N9 O5 -","- Cl20 Cr8 H100 N36 O20 -","4","0.5","","Cline, S.J.; Glerup, J.; Hodgson, D.J.; Jensen, G.S.; Pedersen, E.","Trans-aquatetraamminechromium(III)-mue-hydroxopentaamminech omium(III) chloride trihydrate (N H3)4 H2 O Cr O H Cr (N H3)5 Cl5 (H2 O)3","Inorganic Chemistry","1981","20","","2229","2233","","","","","","","","","","","","","","","","","","","","","","has coordinates","148704","2020-10-21","18:00:00",""
"4343763","7.095","","7.095","","17.578","","90","","90","","120","","766.311","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb Mg Cl3","","- Cl3 Mg Rb -","- Cl3 Mg Rb -","- Cl18 Mg6 Rb6 -","6","0.25","","Devaney, K.O.; Freedman, M.R.; Atwood, J.L.; McPherson, G.L.","Electron paramagnetic resonance studies of manganese(II) and nickel(II) in three structural phases of rubidium magnesium chloride and the crystal structure of 6H-rubidium magnesium chloride","Inorganic Chemistry","1981","20","","140","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343776","9.006","","10.878","","12.479","","90","","99.54","","90","","1205.63","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","((C O)6 Fe2) (B3 H7)","","- C6 H7 B3 Fe2 O6 -","- C6 H7 B3 Fe2 O6 -","- C24 H28 B12 Fe8 O24 -","4","1","","Haller, K.J.; Andersen, E.L.; Fehlner, T.P.","Crystal and molecular structure of (C O)6 Fe2 B3 H7, a diiron analogue of pentaborane(9)","Inorganic Chemistry","1981","20","","309","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","149074","2020-10-21","18:00:00",""
"4343778","21.033","","7.591","","8.377","","90","","90","","90","","1337.48","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Co (N H3)6 Hg Cl5","","- Cl5 Co H18 Hg N6 -","- Cl5 Co H18 Hg N6 -","- Cl20 Co4 H72 Hg4 N24 -","4","0.5","","Herlinger, A.W.; Brown, J.N.; Dwyer, M.A.; Pavkovic, S.F.","Crystal and molecular structure and vibrational and nuclear quadrupole resonance spectra of hexaamminecobalt(III) pentachloromercurate(II), Co (N H3)6 Hg Cl5","Inorganic Chemistry","1981","20","","2366","2371","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4343780","9.499","","9.499","","25.88","","90","","90","","120","","2022.32","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Zr6 Cl12) (K2 Zr Cl6)","","- Cl18 K2 Zr7 -","- Cl18 K2 Zr7 -","- Cl54 K6 Zr21 -","3","0.166667","","Imoto, H.; Corbett, J.D.; Cisar, A.","Synthesis by hydrogen-driven disproportionation reactions. Synthesis and structure of the hexazirconium dodecahalide clusters Zr6 Cl12 and Zr6 Br12 and the double salt Zr6 Cl12 M2 Zr Cl6 (M= Na, K, Cs)","Inorganic Chemistry","1981","20","","145","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","149202","2020-10-21","18:00:00",""
"4343792","8.054","","5.942","","10.503","","103.08","","88.95","","100.35","","481.502","","","","","","","","","","","","","3","P -1","-P 1","2","","I3 As F6","","- As F6 I3 -","- As F6 I3 -","- As2 F12 I6 -","2","1","","Passmore, J.; Sutherland, G.W.; White, P.S.","X-ray crystal structure of triiodine(1+) hexafluoroarsenate (V), I3 As F6","Inorganic Chemistry","1981","20","","2169","2171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344186","4.1026","","4.1026","","27.596","","90","","90","","120","","402.249","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","La Cl","","- Cl La -","- Cl La -","- Cl6 La6 -","6","0.166667","","Araujo, R.E.; Corbett, J.D.","Lanthanum monochloride and lanthanum sesquichloride","Inorganic Chemistry","1981","20","","3082","3086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344208","19.962","","5.93","","9.441","","90","","90","","90","","1117.57","","","","","","","","","","","","","3","P c a m","-P 2c 2ac","57","","As3 S4 As F6","","- As4 F6 S4 -","- As4 F6 S4 -","- As16 F24 S16 -","4","0.5","","Christian, B.H.; Gillespie, R.J.; Sawyer, J.F.","Preparation, X-ray Crystal Structures, and Vibrational Spectra of Some Salts of the As3 S4(+) and As3 Se4(+) Cations","Inorganic Chemistry","1981","20","","3410","3420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344209","20.453","","5.99","","9.609","","90","","90","","90","","1177.23","","","","","","","","","","","","","4","P c a m","-P 2c 2ac","57","","As3 S4 Sb F6","","- As3 F6 S4 Sb -","- As3 F6 S4 Sb -","- As12 F24 S16 Sb4 -","4","0.5","","Christian, B.H.; Sawyer, J.F.; Gillespie, R.J.","Preparation, X-ray Crystal Structures, and Vibrational Spectra of Some Salts of the As3 S4(+) and As3 Se4(+) Cations","Inorganic Chemistry","1981","20","","3410","3420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344210","6.224","","9.564","","10.643","","90","","92.65","","90","","632.861","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","As3 Se4 Sb F6","","- As3 F6 Sb Se4 -","- As3 F6 Sb Se4 -","- As6 F12 Sb2 Se8 -","2","0.5","","Christian, B.H.; Gillespie, R.J.; Sawyer, J.F.","Preparation, X-ray Crystal Structures, and Vibrational Spectra of Some Salts of the As3 S4(+) and As3 Se4(+) Cations","Inorganic Chemistry","1981","20","","3410","3420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344214","14.6576","","7.1188","","14.8152","","90","","105.799","","90","","1487.49","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Re2 (C O)10","","- C10 O10 Re2 -","- C10 O10 Re2 -","- C40 O40 Re8 -","4","0.5","","Churchill, M.R.; Amoh, K.N.; Wassermann, H.J.","Dedetermination of the crystal structure of ddimanganese decacarbonyl and determination of the crystal structure of dirhenium decacarbonyl. Revised values for the Mn-Mn and Re-Re bond lengths in Mn2 (C O)10 and Re2 (C O)10","Inorganic Chemistry","1981","20","","1609","1611","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"4344215","14.135","","7.0999","","14.6277","","90","","105.167","","90","","1416.86","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Mn2 (C O)10","","- C10 Mn2 O10 -","- C10 Mn2 O10 -","- C40 Mn8 O40 -","4","0.5","","Churchill, M.R.; Amoh, K.N.; Wassermann, H.J.","Redetermination of the Crystal Structure of Dimanganese Decacarbonyl and Determination of the Crystal Structure of Dirhenium Decacarbonyl. Revised Values for the Mn-Mn and Re-Re Bond Lengths In Mn2 (C O)10 and Re2 (C O)10","Inorganic Chemistry","1981","20","","1609","1611","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"4344299","8.406","","8.406","","21.28","","90","","90","","120","","1302.21","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Y2 I9","","- Cs3 I9 Y2 -","- Cs3 I9 Y2 -","- Cs6 I18 Y4 -","2","0.0833333","","Guthrie, D.H.; Meyer, G.; Corbett, J.D.","Metal-Metal Repulsion and Bonding in Confacial Bioctahedra. Crystal Structures of Cs3 Y2 I9 and Cs3 Zr2 I9 and Comparison with Related Phases","Inorganic Chemistry","1981","20","","1192","1196","","","","","","","","","","","","","","","","","","","","","","has coordinates","165472","2020-10-21","18:00:00",""
"4344300","8.269","","8.269","","19.908","","90","","90","","120","","1178.86","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Zr2 I9","","- Cs3 I9 Zr2 -","- Cs3 I9 Zr2 -","- Cs6 I18 Zr4 -","2","0.0833333","","Guthrie, D.H.; Corbett, J.D.; Meyer, G.","Metal-Metal Repulsion and Bonding in Confacial Bioctahedra. Crystal Structures of Cs3 Y2 I9 and Cs3 Zr2 I9 and Comparison with Related Phases","Inorganic Chemistry","1981","20","","1192","1196","","","","","","","","","","","","","","","","","","","","","","has coordinates","165474","2020-10-21","18:00:00",""
"4344302","13.119","","9.976","","8.963","","90","","90","","90","","1173.03","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- B14 H20 -","- B14 H20 -","- B56 H80 -","4","1","","Huffman, J.C.; Schaeffer, R.; Moody, D.C.","Studies of Borane. 47. Synthesis and X-ray Crystallographic Study of Tetradecaborane(20)","Inorganic Chemistry","1981","20","","741","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344333","17.604","","6.14","","6.979","","90","","106.04","","90","","724.982","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Cs2 (Cr (H2 O)4) Cl5","","- Cl5 Cr Cs2 H8 O4 -","- Cl5 Cr Cs2 O4 -","- Cl10 Cr2 Cs4 O8 -","2","0.25","","McCarthy, P.J.; Lauffenburger, J.C.; Skonezny, P.M.; Rohrer, D.C.","Crystal structure and low-temperature crystal spectra of dicesium dichlorotetraaquochromium(III) chloride","Inorganic Chemistry","1981","20","","1566","1570","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344334","8.354","","17.666","","6.044","","90","","90","","90","","891.984","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Cs3 (V Cl2 (H2 O)4) Cl4","","- Cl6 Cs3 H8 O4 V -","- Cl6 Cs3 O4 V -","- Cl12 Cs6 O8 V2 -","2","0.125","","McCarthy, P.J.; Rohrer, D.C.; Lauffenburger, J.C.; Schreiner, M.M.","Crystal structure, low-temperature crystal spectra, and IR spectra of tricesium dichlorotetraaquovanadium(III) chloride and some analogous molecules","Inorganic Chemistry","1981","20","","1571","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344338","11.786","","9.187","","12.4","","90","","90","","90","","1342.65","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","S7 I Sb F6","","- F6 I S7 Sb -","- F6 I S7 Sb -","- F24 I4 S28 Sb4 -","4","1","","Passmore, J.; Sutherland, G.W.; Taylor, P.; Whidden, T.K.; White, P.S.","Preparations and X-ray Crystal Structures of Iodo-cyclo-heptasulfur Hexafluoroantimonate(V) and Hexafluoroarsenate(V), S7 I Sb F6 and S7 I As F6","Inorganic Chemistry","1981","20","","3839","3845","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344339","15.516","","11.813","","11.65","","107.3","","74.71","","104.62","","1931.16","","","","","","","","","","","","","4","P -1","-P 1","2","","S7 I As F6","","- As F6 I S7 -","- As F6 I S7 -","- As6 F36 I6 S42 -","6","3","","Passmore, J.; Whidden, T.K.; Sutherland, G.W.; Taylor, P.; White, P.S.","Preparations and X-ray Crystal Structures of Iodo-cyclo-heptasulfur Hexafluoroantimonate(V) and Hexafluoroarsenate(V), S7 I Sb F6 and S7 I As F6","Inorganic Chemistry","1981","20","","3839","3845","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344341","5.854","","5.854","","25.42","","90","","90","","90","","871.126","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","K2 (Cu F4)","","- Cu F4 K2 -","- Cu F4 K2 -","- Cu8 F32 K16 -","8","0.5","","Reinen, D.; Krause, S.","Local and cooperative Jahn-Teller interactions of copper(II) in host lattices with tetragonally compressed octahedra. Spectroscopic and structural investigation of the mixed crystals K (Rb)2 Zn1-x Cux F4","Inorganic Chemistry","1981","20","","2750","2759","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""