Information card for entry 4070758

Structure parameters

• Formula: C15 H18 B2 Br4 Fe
• Calculated formula: C15 H18 B2 Br4 Fe
• 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: 15.0877 ± 0.001 Å
• b: 18.6584 ± 0.0011 Å
• c: 13.8304 ± 0.0011 Å
• α: 90°
• β: 93.375 ± 0.006°
• γ: 90°
• Cell volume: 3886.7 ± 0.5 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: 0.0983
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No