Information card for entry 2236503

Structure parameters

• Chemical name: Octacarbonyldi-μ~2~-hydrido-[μ~3~-(1,3,5- trimethylphenyl)phosphinidene](triphenylphosphane)-<i>triangulo</i>- triruthenium
• Formula: C35 H28 O8 P2 Ru3
• Calculated formula: C35 H28 O8 P2 Ru3
• SMILES: [Ru]1234([Ru]5([H]1)([Ru]2([H]3)([P]45c1c(cc(cc1C)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Octacarbonyldi-μ~2~-hydrido-[μ~3~-(1,3,5-trimethylphenyl)phosphinidene](triphenylphosphane)-<i>triangulo</i>-triruthenium
• Authors of publication: Kakizawa, Taeko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1293
• a: 11.5954 ± 0.0005 Å
• b: 12.087 ± 0.0007 Å
• c: 13.4304 ± 0.0001 Å
• α: 100.224 ± 0.002°
• β: 94.6231 ± 0.0017°
• γ: 95.0167 ± 0.0013°
• Cell volume: 1836.44 ± 0.13 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: 0.0356
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes