Information card for entry 4075569

Structure parameters

• Common name: Pentamethylcyclopentadienyldicarbonyldibromoboryliron 4-methylpyridine adduct
• Formula: C24 H28 B Br2 Fe N O2
• Calculated formula: C24 H30 B Br2 Fe N O2
• Title of publication: Synthesis and Reactivity of Dihaloboryl Complexes
• Authors of publication: Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4605
• a: 8.1006 ± 0.0004 Å
• b: 12.6176 ± 0.0007 Å
• c: 23.7893 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2431.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No