Information card for entry 2006318

Structure parameters

• Chemical name: μ-bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)
• Formula: C13 H Br Mn3 O13 P
• Calculated formula: C13 H Br Mn3 O13 P
• SMILES: [Br]1[Mn]([PH]([Mn]1(C#[O])(C#[O])(C#[O])C#[O])[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)
• Authors of publication: Flörke, Ulrich; Haupt, Hans-Jürgen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 876 - 879
• a: 8.735 ± 0.002 Å
• b: 8.953 ± 0.001 Å
• c: 13.837 ± 0.004 Å
• α: 81.57 ± 0.02°
• β: 84.59 ± 0.02°
• γ: 74.68 ± 0.02°
• Cell volume: 1030.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.0861
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No