Information card for entry 4119431

Structure parameters

• Formula: C61 H81 Al F24 O4 P
• Calculated formula: C61 H81 Al F24 O4 P
• SMILES: [Al](OC(C)(C(F)(F)F)C(F)(F)F)(OC(C)(C(F)(F)F)C(F)(F)F)(OC(C)(C(F)(F)F)C(F)(F)F)OC(C)(C(F)(F)F)C(F)(F)F.c1(c(cc(cc1C(C)C)C(C)C)C(C)C)P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations
• Authors of publication: Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3414 - 3417
• a: 11.033 ± 0.002 Å
• b: 18.799 ± 0.004 Å
• c: 19.225 ± 0.004 Å
• α: 110.795 ± 0.002°
• β: 101.385 ± 0.003°
• γ: 97.09 ± 0.003°
• Cell volume: 3571.9 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No