Information card for entry 4075571

Structure parameters

• Common name: Pentacarbonyldichloroborylmanganese
• Formula: C5 B Cl2 Mn O5
• Calculated formula: C5 B Cl2 Mn O5
• SMILES: B(Cl)([Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])Cl
• Title of publication: Synthesis and Reactivity of Dihaloboryl Complexes
• Authors of publication: Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4605
• a: 23.778 ± 0.005 Å
• b: 6.7756 ± 0.0015 Å
• c: 12.024 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1937.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No