Information card for entry 7702846

Structure parameters

• Formula: C16 H16 B Br Fe O2
• Calculated formula: C16 H16 B Br Fe O2
• Title of publication: Synthetic, structural and reaction chemistry of transition metal complexes containing the mesitylborylene ligand
• Authors of publication: Coombs, Deborah L.; Aldridge, Simon; Jones, Cameron
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3851
• a: 11.628 ± 0.002 Å
• b: 15.439 ± 0.003 Å
• c: 17.803 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3196.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No