Information card for entry 2015412

Structure parameters

• Common name: o-phenylenebis(dimethylphosphine) monomethiodide
• Chemical name: [2-(diphenylphosphino)phenyl]trimethylphosphonium iodide
• Formula: C11 H19 I P2
• Calculated formula: C11 H19 I P2
• SMILES: [I-].[P+](c1c(P(C)C)cccc1)(C)(C)C
• Title of publication: 1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)
• Authors of publication: Levason, William; Reid, Gillian; Webster, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o438 - o440
• a: 9.2002 ± 0.0016 Å
• b: 11.846 ± 0.003 Å
• c: 13.566 ± 0.002 Å
• α: 90°
• β: 94.312 ± 0.014°
• γ: 90°
• Cell volume: 1474.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No