Information card for entry 7012078

Structure parameters

• Common name: Symmetric phosphorous chloride
• Chemical name: Chloro-bis-(2,4,6-tris-trifluoromethyl-phenyl)-phosphane
• Formula: C18 H4 Cl F18 P
• Calculated formula: C18 H4 Cl F18 P
• SMILES: ClP(c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F)c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F
• 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: 8.0347 ± 0.0006 Å
• b: 8.5325 ± 0.0006 Å
• c: 29.833 ± 0.002 Å
• α: 90°
• β: 94.572 ± 0.002°
• γ: 90°
• Cell volume: 2038.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No