Information card for entry 4314307

Structure parameters

• Formula: C15 H10 Co Mn Mo O5 Se2
• Calculated formula: C15 H10 Co Mn Mo O5 Se2
• SMILES: [Co]123456([Mn]78([Mo]9%10%11%12([Se]17)([Se]28)([cH]1[cH]%12[cH]%11[cH]%10[cH]91)(C#[O])C#[O])(C#[O])(C#[O])C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Syntheses and Reactivity of the Diselenido Molybdenum-Manganese Complex CpMoMn(CO)5(μ-Se2)
• Authors of publication: Richard D. Adams; O-Sung Kwon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6175 - 6182
• a: 10.27 ± 0.0005 Å
• b: 13.9275 ± 0.0007 Å
• c: 12.8698 ± 0.0006 Å
• α: 90°
• β: 90.211 ± 0.001°
• γ: 90°
• Cell volume: 1840.82 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No