Information card for entry 7003421

Structure parameters

• Formula: C13 H31 Al Cl5 P3
• Calculated formula: C13 H31 Al Cl5 P3
• SMILES: [P+]1(P([P+](CC1)(CC)CC)CCC)(CC)CC.[Cl-].Cl[Al](Cl)(Cl)[Cl-]
• Title of publication: Alkyl and aryl dicationic derivatives of cyclic triphosphenium ions
• Authors of publication: Dillon, Keith B.; Goeta, Andrés E.; Howard, Judith A. K.; Monks, Philippa K.; Shepherd, Helena J.; Thompson, Amber L.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1144 - 1149
• a: 10.3722 ± 0.0003 Å
• b: 25.165 ± 0.0008 Å
• c: 8.8229 ± 0.0003 Å
• α: 90°
• β: 90.502 ± 0.001°
• γ: 90°
• Cell volume: 2302.83 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No