Information card for entry 2202700

Structure parameters

• Chemical name: Bromopentacarbonylmanganese
• Formula: C5 Br Mn O5
• Calculated formula: C5 Br Mn O5
• SMILES: Br[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Bromopentacarbonylmanganese
• Authors of publication: Haghiri, Alireza; Wagner, Matthias; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: i129 - i130
• a: 11.6252 ± 0.0016 Å
• b: 11.3317 ± 0.0018 Å
• c: 6.0403 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 795.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes