Information card for entry 2011485

Structure parameters

• Chemical name: tris(2-methylphenyl)phosphonium tetrachloroborate
• Formula: C21 H22 B Cl4 P
• Calculated formula: C21 H22 B Cl4 P
• SMILES: [PH+](c1ccccc1C)(c1ccccc1C)c1ccccc1C.B(Cl)(Cl)(Cl)[Cl-]
• Title of publication: Tris(2-methylphenyl)phosphonium tetrachloroborate
• Authors of publication: Burke, Jacquelyn M.; Howard, Judith A. K.; Marder, Todd B.; Wilson, Claire
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1354 - 1355
• a: 9.416 ± 0.0003 Å
• b: 11.4361 ± 0.0003 Å
• c: 11.5642 ± 0.0003 Å
• α: 118.281 ± 0.001°
• β: 90.114 ± 0.001°
• γ: 93.444 ± 0.001°
• Cell volume: 1093.98 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes