Information card for entry 4304916

Structure parameters

• Formula: C100 H80 Cl2 K2 N4 O12 P8 Ru2
• Calculated formula: C100 H80 Cl2 K2 N4 O12 P8 Ru2
• SMILES: [Ru]123([Cl][K]45([O]1P(=NP(=[O]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]3P(=NP(=[O]4[K]123[Cl][Ru]4([O]1P(=NP(=[O]4)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]2P(=NP(=[O]53)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Ruthenium Complexes with Tetraphenylimidodiphosphinate: Syntheses, Structures, and Applications to Catalytic Organic Oxidation
• Authors of publication: Wai-Man Cheung; Ho-Yuen Ng; Ian D. Williams; Wa-Hung Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4383 - 4391
• a: 11.6657 ± 0.0006 Å
• b: 14.1758 ± 0.0007 Å
• c: 16.6971 ± 0.0008 Å
• α: 100.351 ± 0.001°
• β: 104.048 ± 0.001°
• γ: 110.551 ± 0.001°
• Cell volume: 2399.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No