Information card for entry 7007671

Structure parameters

• Formula: C21 H21 I2 P
• Calculated formula: C21 H21 I2 P
• SMILES: c1(c(cccc1)C)[P](c1ccccc1C)(c1c(cccc1)C)[I]I
• Title of publication: The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.
• Authors of publication: Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 40
• Pages of publication: 4795 - 4804
• a: 9.1482 ± 0.0002 Å
• b: 11.1968 ± 0.0002 Å
• c: 11.4776 ± 0.0002 Å
• α: 61.414 ± 0.001°
• β: 89.329 ± 0.001°
• γ: 88.847 ± 0.001°
• Cell volume: 1032.13 ± 0.04 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No