Information card for entry 2012733

Structure parameters

• Chemical name: Polymeric methylenebis(diphenylphosphine oxide) hydrogen triiodide
• Formula: C25 H23 I3 O2 P2
• Calculated formula: C25 H23 I3 O2 P2
• SMILES: I[I-]I.P(=O)(C[P+](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Polymeric methylenebis(diphenylphosphine oxide) hydrogen triiodide
• Authors of publication: Boraei, Ahmed A.; du Mont, Wolf-W.; Ruthe, Frank; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o318 - o320
• a: 10.1284 ± 0.0008 Å
• b: 11.8155 ± 0.001 Å
• c: 12.5299 ± 0.001 Å
• α: 110.852 ± 0.002°
• β: 93.855 ± 0.002°
• γ: 96.043 ± 0.002°
• Cell volume: 1384.6 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes