Information card for entry 7007673

Structure parameters

• Formula: C19 H18 I P Se
• Calculated formula: C19 H18 I P Se
• SMILES: [I-].[Se]([P+](C)(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 13.292 ± 0.004 Å
• b: 16.145 ± 0.004 Å
• c: 17.331 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3719.2 ± 1.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No