Information card for entry 2209946

Structure parameters

• Common name: [(Ph3P)2P +] [AlCl4 -] . 0.5 CH2Cl2
• Chemical name: 1,1,1,3,3,3-hexaphenyltriphosphenium tetrachloroaluminate dichloromethane hemisolvate
• Formula: C73 H62 Al2 Cl10 P6
• Calculated formula: C36.5 H31 Al Cl5 P3
• SMILES: P(=P[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-][Al](Cl)(Cl)Cl.ClCCl
• Title of publication: Redetermination of an acyclic triphosphenium tetrachloroaluminate salt at 173K
• Authors of publication: Ellis, Bobby D.; Macdonald, Charles L. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1869 - m1870
• a: 33.283 ± 0.005 Å
• b: 9.2443 ± 0.0013 Å
• c: 23.979 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7378 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes