Information card for entry 4350356

Structure parameters

• Common name: Methylcymantrenyldibromoborane
• Formula: C9 H6 B Br2 Mn O3
• Calculated formula: C9 H6 B Br2 Mn O3
• SMILES: BrB(Br)[c]12[Mn]345([cH]1[c]5([cH]3[cH]24)C)(C#[O])(C#[O])C#[O]
• Title of publication: Preparation and structural characterization of transition-metal complexes featuring the cymantrenyl(bromo)boryl ligand.
• Authors of publication: Braunschweig, Holger; Kraft, Mario; Schwarz, Silvia; Seeler, Fabian; Stellwag, Sascha
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5275 - 5277
• a: 10.0066 ± 0.0007 Å
• b: 10.5736 ± 0.0008 Å
• c: 22.9813 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2431.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No