Information card for entry 4314306

Structure parameters

• Formula: C12 H9 Mn Mo O5 Se2
• Calculated formula: C12 H9 Mn Mo O5 Se2
• SMILES: [Mn]12([Mo]34567([Se]1CC[Se]23)([cH]1[cH]4[cH]5[cH]6[cH]71)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 9.1898 ± 0.0006 Å
• b: 14.3501 ± 0.0009 Å
• c: 11.6492 ± 0.0007 Å
• α: 90°
• β: 94.088 ± 0.001°
• γ: 90°
• Cell volume: 1532.32 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No