Information card for entry 4067635

Structure parameters

• Formula: C30 H37 Mo2 O P
• Calculated formula: C30 H37 Mo2 O P
• SMILES: [Mo]1234567([Mo]89%10%11([P]1(C1CCCCC1)C1CCCCC1)(C2=O)(=[C]=3c1ccccc1)[cH]1[cH]8[cH]9[cH]%10[cH]%111)[cH]1[cH]4[cH]5[cH]6[cH]71
• Title of publication: Dehydrogenative Formation and Reactivity of the Unsaturated Benzylidyne-Bridged Complex [Mo2Cp2(μ-CPh)(μ-PCy2)(μ-CO)]: C−C and C−P Coupling Reactions
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Menéndez, Sonia; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 710
• a: 25.741 ± 0.004 Å
• b: 12.3754 ± 0.0019 Å
• c: 19.531 ± 0.003 Å
• α: 90°
• β: 112.156 ± 0.002°
• γ: 90°
• Cell volume: 5762.3 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.347
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No