Information card for entry 2212082

Structure parameters

• Chemical name: Tetraphenylphosphonium 2,4,5-tricarboxybenzoate
• Formula: C34 H25 O8 P
• Calculated formula: C34 H25 O8 P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]C(=O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O
• Title of publication: Tetraphenylphosphonium 2,4,5-tricarboxybenzoate
• Authors of publication: Guo-Dong Yang; Jing-Cao Dai; Wen-Shi Wu; Hai-Ping Li; Guo-Xiang Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1010 - o1011
• a: 9.715 ± 0.003 Å
• b: 10.92 ± 0.003 Å
• c: 14.268 ± 0.005 Å
• α: 90.218 ± 0.004°
• β: 106.435 ± 0.003°
• γ: 102.776 ± 0.004°
• Cell volume: 1412.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes