Information card for entry 4069698

Structure parameters

• Formula: C31 H35 Co2 Mo2 O8 P
• Calculated formula: C31 H35 Co2 Mo2 O8 P
• SMILES: C([Mo]12345678([Mo]9%10%11%12%13%14%15%16([Co]%171([Co]29(C8%14OC)(C#[O])(C#[O])C%17=O)([P]3(C1CCCCC1)C1CCCCC1)(C%15=O)(C%16=O)C#[O])[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]4[cH]5[cH]6[cH]71)#[O]
• 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: 9.79 ± 0.002 Å
• b: 17.122 ± 0.004 Å
• c: 19.337 ± 0.005 Å
• α: 90°
• β: 104.332 ± 0.004°
• γ: 90°
• Cell volume: 3140.5 ± 1.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No