Information card for entry 4083377

Structure parameters

• Formula: C53 H40 Mn2 O5 P2 Se2
• Calculated formula: C53 H40 Mn2 O5 P2 Se2
• SMILES: C1(=O)[Mn]23(C#[O])(C#[O])([P](c4ccccc4)(c4ccccc4)c4ccccc4)[Se](c4ccccc4)[Mn]13([Se]2c1ccccc1)(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tricarbonyl[(1−5-η)-pentadienyl]manganese: A Source of Benzeneselenolatomanganese Derivatives of Diverse Nuclearity
• Authors of publication: Reyes-Lezama, Marisol; Höpfl, Herbert; Zúñiga-Villarreal, Noé
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1537
• a: 19.9168 ± 0.0013 Å
• b: 22.3973 ± 0.0015 Å
• c: 10.2833 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4587.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No