Information card for entry 7003795

Structure parameters

• Formula: C17 H7 B Br2 F10 N2
• Calculated formula: C17 H7 B Br2 F10 N2
• SMILES: [B]1(N(c2c(c(c(c(c2F)F)F)F)F)C(=CC(C)=[N]1c1c(c(c(c(c1F)F)F)F)F)C)(Br)Br
• Title of publication: Synthesis and structures of boron dihalides supported by the C6F5-substituted β-diketiminate ligand [HC(CMe)2(NC6F5)2]−
• Authors of publication: Vidovic, Dragoslav; Reeske, Gregor; Findlater, Michael; Cowley, Alan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 2293 - 2297
• a: 7.457 ± 0.005 Å
• b: 11.566 ± 0.005 Å
• c: 22.002 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1897.6 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No