Information card for entry 7250090

Structure parameters

• Common name: FcBrCN
• Formula: C11 H8 Br Fe N
• Calculated formula: C11 H8 Br Fe N
• Title of publication: Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts
• Authors of publication: Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 2371 - 2381
• a: 9.018 ± 0.008 Å
• b: 10.319 ± 0.009 Å
• c: 10.748 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1000.2 ± 1.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No