Information card for entry 4064870

Structure parameters

• Formula: C36 H43 Cl2 Mo2 O4 P
• Calculated formula: C36 H43 Cl2 Mo2 O4 P
• SMILES: [Mo]12345678([Mo]9%10%11%12%13([P]1(C1CCCCC1)C1CCCCC1)(C#[O])([C]2(=[CH]3C49C(=O)OC)c1ccccc1)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)(C#[O])[cH]1[cH]8[cH]7[cH]6[cH]51.C(Cl)Cl
• Title of publication: Multisite Reactivity of the Central Mo2CP Core in the Unsaturated Carbyne-Bridged Complex [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(CO)2]
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 3694
• a: 9.854 ± 0.0005 Å
• b: 11.4584 ± 0.0006 Å
• c: 16.1062 ± 0.0008 Å
• α: 76.032 ± 0.003°
• β: 79.622 ± 0.004°
• γ: 81.141 ± 0.003°
• Cell volume: 1724.25 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0797
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No