Information card for entry 4067444

Structure parameters

• Formula: C28 H33 Mo2 O5 P Ru
• Calculated formula: C28 H33 Mo2 O5 P Ru
• SMILES: [Mo]1234567([Mo]89%10%11%12([Ru]1(C#[O])(C#[O])(C#[O])C38)([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]%12[cH]%11[cH]%10[cH]91)(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41
• Title of publication: Heterometallic Derivatives of the Unsaturated Methyl-Bridged Complex [Mo2(η5-C5H5)2(μ-CH3)(μ-PCy2)(CO)2]. Photochemical Generation of Methylidyne-Bridged Clusters
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 904
• a: 9.8055 ± 0.0002 Å
• b: 10.1325 ± 0.0003 Å
• c: 15.635 ± 0.0004 Å
• α: 92.55 ± 0.002°
• β: 90.46 ± 0.002°
• γ: 116.682 ± 0.001°
• Cell volume: 1385.93 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No