Information card for entry 4341841

Structure parameters

• Formula: C12 H52 Na4 O39 Ru2 Ta6
• Calculated formula: C12 H12 Na4 O39 Ru2 Ta6
• SMILES: [Na+].O.[Na+].O.[O]12345[Ta]678(=O)[O]9[Ru]%10%11%12%13%14%15([O]%16[Ta]%171(=O)(O[Ta]13([O]3[Ru]%18%19%20%21%22%23([cH]%24[cH]%21[cH]%22[cH]%20[cH]%18[cH]%23%24)[O]%18[Ta]23(=O)(O%17)O[Ta]59%16(=O)O[Ta]4%18([O]1%19)(=O)O8)(=O)O7)[O]6%10)[cH]1[cH]%14[cH]%15[cH]%11[cH]%13[cH]%121.O.O.O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Coordination-Induced Condensation of [Ta6O19](8-): Synthesis and Structure of [{(C6H6)Ru}2Ta6O19](4-) and [{(C6H6)RuTa6O18}2(μ-O)](10-)
• Authors of publication: Abramov, P. A.; Sokolov, M. N.; Floquet, S.; Haouas, M.; Taulelle, F.; Cadot, E.; Peresypkina, E. V.; Virovets, A. V.; Vicent, C.; Kompankov, N. B.; Zhdanov, A. A.; Shuvaeva, O. V.; Fedin, V. P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141203085652001
• a: 24.7985 ± 0.0011 Å
• b: 9.9374 ± 0.0005 Å
• c: 9.7075 ± 0.0005 Å
• α: 90°
• β: 107.917 ± 0.002°
• γ: 90°
• Cell volume: 2276.23 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No