Information card for entry 4066411

Structure parameters

• Formula: C18 H14 B Mn2 N O6
• Calculated formula: C18 H14 B Mn2 N O6
• SMILES: [Mn]1234([c]5([cH]4[cH]3[cH]2[cH]15)B(N(C)C)[c]12[Mn]345([cH]1[cH]3[cH]4[cH]25)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 6.9727 ± 0.0003 Å
• b: 18.4166 ± 0.0007 Å
• c: 14.9855 ± 0.0007 Å
• α: 90°
• β: 101.853 ± 0.004°
• γ: 90°
• Cell volume: 1883.31 ± 0.14 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: 0.0365
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No