Information card for entry 4070759

Structure parameters

• Formula: C8 H3 B2 Br4 Mn O3
• Calculated formula: C8 H3 B2 Br4 Mn O3
• SMILES: [Mn]1234([c]5(B(Br)Br)[cH]1[c]2(B(Br)Br)[cH]3[cH]45)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Structural Characterization of the Diborylated Organometallics 1,3-Bis(dibromoboryl)-1′,2′,3′,4′,5′-(pentamethyl)ferrocene and 1,3-Bis(dibromoboryl)cymantrene
• Authors of publication: Eckensberger, U. David; Kunz, Kerstin; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 764
• a: 6.7882 ± 0.0011 Å
• b: 10.6733 ± 0.0019 Å
• c: 11.313 ± 0.002 Å
• α: 100.226 ± 0.014°
• β: 105.977 ± 0.014°
• γ: 105.209 ± 0.013°
• Cell volume: 732.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No