Information card for entry 4069697

Structure parameters

• Formula: C30 H35 Co2 Mo2 O7 P
• Calculated formula: C30 H35 Co2 Mo2 O7 P
• SMILES: [Mo]123456789([Mo]%10%11%12%13%14%15%16([Co]%171([Co]2%10(C5%12OC)(C#[O])(C#[O])C%17=O)(C4=O)(C%16=O)C#[O])([P]3(C1CCCCC1)C1CCCCC1)[cH]1[cH]%13[cH]%15[cH]%11[cH]%141)[cH]1[cH]7[cH]9[cH]6[cH]81
• Title of publication: Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 5. Heterometallic Clusters Derived from the Neutral Complex [Mo2(η5-C5H5)2(μ-COMe)(μ-PCy2)(μ-CO)]
• Authors of publication: García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4385
• a: 9.887 ± 0.002 Å
• b: 16.178 ± 0.003 Å
• c: 10.307 ± 0.002 Å
• α: 90°
• β: 114.51 ± 0.003°
• γ: 90°
• Cell volume: 1500.1 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No