Information card for entry 7003797

Structure parameters

• Formula: C17 H7 Al B Cl5 F10 N2
• Calculated formula: C17 H7 Al B Cl5 F10 N2
• SMILES: C1(=CC(=[N+](c2c(c(c(c(c2F)F)F)F)F)B(N1c1c(c(c(c(c1F)F)F)F)F)Cl)C)C.[Al](Cl)(Cl)(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: 12.27 ± 0.003 Å
• b: 14.185 ± 0.003 Å
• c: 14.556 ± 0.003 Å
• α: 89.71 ± 0.03°
• β: 81.36 ± 0.03°
• γ: 77.91 ± 0.03°
• Cell volume: 2448.3 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1999
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No