Information card for entry 7012077

Structure parameters

• Chemical name: dibromo-(2,4,6-tris-(trifluoromethyl)-phenyl)-phosphane
• Formula: C9 H2 Br2 F9 P
• Calculated formula: C9 H2 Br2 F8.997 P
• Title of publication: New group 15 compounds containing the 2,4,6-(CF3)3C6H2 (fluoromes = Ar), 2,6-(CF3)2C6H3 (fluoroxyl = Ar') or 2,4-(CF3)2C6H3 (Ar″) ligands
• Authors of publication: Andrei S. Batsanov; Stéphanie M. Cornet; Keith B. Dillon; Andrés E. Goeta; Paul Hazendonk; Amber L. Thompson
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4622 - 4628
• a: 8 ± 0.001 Å
• b: 10.501 ± 0.001 Å
• c: 16.153 ± 0.002 Å
• α: 101.39 ± 0.01°
• β: 98.48 ± 0.01°
• γ: 90.91 ± 0.01°
• Cell volume: 1314.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No