Information card for entry 4066408

Structure parameters

• Formula: C16 H12 B2 Mn2 O6
• Calculated formula: C16 H12 B2 Mn2 O6
• SMILES: [BH]12([c]34[cH]5[cH]6[cH]7[cH]3[Mn]4567(C#[O])(C#[O])C#[O])[BH]([c]34[cH]5[cH]6[cH]7[cH]3[Mn]4567(C#[O])(C#[O])C#[O])([H]1)[H]2
• Title of publication: Reactivity of [(C5Me5)Fe(C5H4BBr2)] and [(OC)3Mn(C5H4BBr2)] toward Et3SiH: Facile Access to [(OC)3Mn(C5H4BH2)]2and to Boron-Bridged Dinuclear Organometallics†
• Authors of publication: Eckensberger, U. David; Weber, Mitra; Wildt, Julia; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5301
• a: 6.6618 ± 0.0009 Å
• b: 11.1029 ± 0.0011 Å
• c: 12.2334 ± 0.0018 Å
• α: 90°
• β: 102.1 ± 0.011°
• γ: 90°
• Cell volume: 884.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No