Information card for entry 2018126

Structure parameters

• Chemical name: Bis(methyltri-<i>o</i>-tolylphosphonium) octaiodide
• Formula: C44 H48 I8 P2
• Calculated formula: C44 H48 I8 P2
• SMILES: c1(c(cccc1)C)[P+](c1ccccc1C)(c1c(cccc1)C)C.I[I-]I.II.c1(c(cccc1)C)[P+](c1c(cccc1)C)(c1c(cccc1)C)C.I[I-]I
• Title of publication: Bis(methyltri-<i>o</i>-tolylphosphonium) octaiodide
• Authors of publication: Haghjoo, Farhad; Barnes, Nick; Pritchard, Robin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o219 - o221
• a: 9.668 ± 0.0002 Å
• b: 12.3567 ± 0.0003 Å
• c: 12.8186 ± 0.0004 Å
• α: 62.364 ± 0.001°
• β: 76.41 ± 0.001°
• γ: 73.073 ± 0.001°
• Cell volume: 1288.83 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes