Information card for entry 1512606

Structure parameters

• Formula: C21 H13 O9 P Ru3
• Calculated formula: C21 H13 O9 P Ru3
• SMILES: [Ru]12345([Ru]6([Ru]([P]716[CH]2=[C]3([C]4(=[CH]57)C)C)(C#[O])(C#[O])(C#[O])c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Insertion of a phospholide unit into a metalmetal bond: Synthesis and X-ray structure of [Ru3(CO)9(nu:?1:?5-PC4H2Me2)(?1-C6H5)]
• Authors of publication: Alejandro J. Arce; Ysaura De Sanctis; Maria Cristina Goite; Ruben Machado; Yomaira Otero; Teresa Gonzalez
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 241 - 245
• a: 10.502 ± 0.004 Å
• b: 14.51 ± 0.004 Å
• c: 16.746 ± 0.005 Å
• α: 90°
• β: 106.254 ± 0.007°
• γ: 90°
• Cell volume: 2449.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No