Information card for entry 4075572

Structure parameters

• Common name: Bis[Bromo(pentacarbonylmanganese)boryl]oxide
• Formula: C10 B2 Br2 Mn2 O11
• Calculated formula: C10 B2 Br2 Mn2 O11
• SMILES: B(OB(Br)[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(Br)[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 25.022 ± 0.003 Å
• b: 6.3286 ± 0.0008 Å
• c: 13.1563 ± 0.0016 Å
• α: 90°
• β: 120.051 ± 0.002°
• γ: 90°
• Cell volume: 1803.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No