Information card for entry 4083376

Structure parameters

• Formula: C35 H29 Mn O3 P2 Se
• Calculated formula: C35 H29 Mn O3 P2 Se
• SMILES: [Mn]1([Se]c2ccccc2)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• 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: 11.7796 ± 0.0006 Å
• b: 18.3481 ± 0.0009 Å
• c: 14.6527 ± 0.0007 Å
• α: 90°
• β: 97.047 ± 0.001°
• γ: 90°
• Cell volume: 3143 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No