Information card for entry 4066410

Structure parameters

• Formula: C16 H8 B Br Mn2 O6
• Calculated formula: C16 H8 B Br Mn2 O6
• SMILES: [Mn]1234(C#[O])(C#[O])(C#[O])[c]5(B([c]67[Mn]89%10(C#[O])(C#[O])(C#[O])[cH]6[cH]8[cH]9[cH]7%10)Br)[cH]1[cH]2[cH]3[cH]45
• 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: 12.3192 ± 0.001 Å
• b: 12.6324 ± 0.0007 Å
• c: 22.76 ± 0.0018 Å
• α: 90°
• β: 96.661 ± 0.006°
• γ: 90°
• Cell volume: 3518 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1218
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No