Information card for entry 7016580

Structure parameters

• Formula: C6 H48 Na6 O58 Re2 W8
• Calculated formula: C6 Na6 O58 Re2 W8
• SMILES: C(#[O])[Re]12(C#[O])([O]3[W]456(=O)O[W]78(O[W]93(=O)(=O)[O]2[W](=O)(=O)(O[W]2(=O)(O[W]3%10(=O)(O7)[O]7[W]%11(=O)(=O)(O2)[O]2[W](=O)(=O)(O8)([O]3[Re]72(C#[O])(C#[O])C#[O])[O]%10%11)(=O)O6)([O]14)[O]59)(=O)=O)C#[O].[Na+].[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O
• Title of publication: Novel octatungstate-supported tricarbonyl metal derivatives: {[H(2)W(8)O(30)][M(CO)(3)](2)}(8-) (M = Mn(I) and Re(I)).
• Authors of publication: Niu, Jingyang; Yang, Linping; Zhao, Junwei; Ma, Pengtao; Wang, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8298 - 8300
• a: 9.443 ± 0.006 Å
• b: 12.053 ± 0.008 Å
• c: 13.891 ± 0.009 Å
• α: 72.176 ± 0.01°
• β: 88.395 ± 0.01°
• γ: 71.095 ± 0.011°
• Cell volume: 1419.5 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1671
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No