Information card for entry 7003794

Structure parameters

• Formula: C17 H7 B Cl2 F10 N2
• Calculated formula: C17 H7 B Cl2 F10 N2
• SMILES: [B]1(N(C(=CC(C)=[N]1c1c(c(c(c(c1F)F)F)F)F)C)c1c(c(c(c(c1F)F)F)F)F)(Cl)Cl
• 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: 21.996 ± 0.004 Å
• b: 7.2823 ± 0.0015 Å
• c: 11.47 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1837.3 ± 0.6 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 c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No