Information card for entry 4319654

Structure parameters

• Common name: Potassium sodium Dirheniumhexacarbonylhexatantalate
• Formula: C6 H20 K4 Na2 O35 Re2 Ta6
• Calculated formula: C6 K4 Na2 O35 Re2 Ta6
• SMILES: C(#[O])[Re]12([O]3[Ta]456([O]789%10[Ta]%11%12%13([O]%14[Re]%15(C#[O])(C#[O])(C#[O])[O]%11[Ta]%11%10(O6)(=O)O[Ta]9([O]15)(O%13)(=O)[O]2[Ta]38(O[Ta]7%14(O4)(=O)[O]%15%11)(O%12)=O)=O)=O)(C#[O])C#[O].[K+].[K+].[Na+].O.O.O.O.[K+].[K+].[Na+].O.O.O.O.O.O
• Title of publication: Robust, Alkali-Stable, Triscarbonyl Metal Derivatives of Hexametalate Anions, [M6O19{M'(CO)3}n](8-n)- (M = Nb, Ta; M' = Mn, Re; n= 1, 2)
• Authors of publication: Alexei V. Besserguenev; Michael H. Dickman; Michael T. Pope
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2582 - 2586
• a: 17.648 ± 0.003 Å
• b: 10.0561 ± 0.0014 Å
• c: 13.1714 ± 0.0019 Å
• α: 90°
• β: 112.531 ± 0.002°
• γ: 90°
• Cell volume: 2159.1 ± 0.6 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 7
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No