Information card for entry 4116842

Structure parameters

• Formula: K9.5 O88 P2 Rh2 W22
• Calculated formula: K9.5 O88 P2 Rh2 W22
• SMILES: [Rh]1234([Rh]5678[O]9%10[W]%11%12(=O)(O7)O[W]79(=O)(O8)O[W]89%13(=O)[O]%14%15[W]%16(=O)(O%12)(O[W]%12(=O)(O[W]%17(O6)(=O)O[W]6(O5)(=O)O[W]5(=O)([O]=P%10%15O[W]%10(=O)(O%17)(O[W](=O)(O6)(O5)O[W]%14(=O)(O8)(O%10)O%16)O%12)(O7)O9)O%11)O%13)[O]56[W]78(=O)(O3)O[W]35(=O)(O4)O[W]459(=O)[O]%10%11[W]%12(=O)(O8)(O[W]8%13(=O)([O]%14%15[W]%16(=O)(O2)(O[W]2(=O)(O1)O[W]1(=O)([O]([W]%17(=O)(O2)(O1)O[W]%10(=O)(O4)(O[W]%14(=O)(O%16)(O%17)O%13)O%12)=P6%11%15)(O3)O5)O8)O7)O9.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O
• Title of publication: Rhodium Derivatives of Lacunary Heteropolytungstates Illustrate Metalloporphyrin Analogies. Reductive Dimerization to Rh2-Linked Keggin Moieties
• Authors of publication: Xinyi Wei; Robert E. Bachman; Michael T. Pope
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 10248 - 10253
• a: 12.703 ± 0.006 Å
• b: 17.868 ± 0.008 Å
• c: 19.131 ± 0.009 Å
• α: 96.56 ± 0.02°
• β: 97.12 ± 0.02°
• γ: 91.318 ± 0.013°
• Cell volume: 4278 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2907
• Residual factor for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections: 0.5251
• Weighted residual factors for significantly intense reflections: 0.4182
• Goodness-of-fit parameter for all reflections: 1.168
• Goodness-of-fit parameter for significantly intense reflections: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No