Information card for entry 2242196

Structure parameters

• Chemical name: [1,2-Bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-<i>triangulo</i>-triruthenium
• Formula: C46 H37 O7 P3 Ru3
• Calculated formula: C46 H37 O7 P3 Ru3
• SMILES: [Ru]123([H][Ru]4([Ru]([H]3)([P]14c1c(cc(cc1C)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Crystal structure of [1,2-bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-<i>triangulo</i>-triruthenium
• Authors of publication: Kakizawa, Taeko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 945 - 948
• a: 10.9732 ± 0.0002 Å
• b: 19.4127 ± 0.0003 Å
• c: 22.1186 ± 0.0002 Å
• α: 114.172 ± 0.0011°
• β: 90.2641 ± 0.0014°
• γ: 92.5256 ± 0.0013°
• Cell volume: 4293.07 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes