Information card for entry 2015411

Structure parameters

• Common name: o-phenylenebis(diphenylphosphine) monomethiodide
• Chemical name: [2-(diphenylphosphino)phenyl]methyldiphenylphosphonium iodide
• Formula: C31 H27 I P2
• Calculated formula: C31 H27 I P2
• SMILES: [I-].[P+](c1c(P(c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)(c1ccccc1)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: 10.3323 ± 0.0005 Å
• b: 11.8412 ± 0.001 Å
• c: 12.7828 ± 0.001 Å
• α: 69.536 ± 0.003°
• β: 67.26 ± 0.003°
• γ: 70.847 ± 0.004°
• Cell volume: 1317.22 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No