Information card for entry 2215659

Structure parameters

• Chemical name: Methyltriphenylphosphonium bromide chloroform hemisolvate
• Formula: C19.5 H18.5 Br Cl1.5 P
• Calculated formula: C19.5 H18.5 Br Cl1.5 P
• SMILES: C(Cl)(Cl)Cl.[Br-].[P+](C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Methyltriphenylphosphonium bromide chloroform hemisolvate
• Authors of publication: Curnow, Owen J.; Robinson, Ward T.; Shang, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3951 - o3951
• a: 11.769 ± 0.0004 Å
• b: 11.9057 ± 0.0004 Å
• c: 15.0898 ± 0.0007 Å
• α: 66.769 ± 0.001°
• β: 73.304 ± 0.002°
• γ: 82.38 ± 0.001°
• Cell volume: 1860.57 ± 0.13 ų
• Cell temperature: 96 K
• Ambient diffraction temperature: 96 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: 0.0371
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.796
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes