Information card for entry 7007669

Structure parameters

• Formula: C27 H26 I P Se
• Calculated formula: C27 H26 I P Se
• SMILES: [I-].[P+]([Se]c1ccccc1)(c1cccc(c1)C)(c1cc(ccc1)C)c1cccc(c1)C
• 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: 9.523 ± 0.002 Å
• b: 11.1159 ± 0.001 Å
• c: 13.429 ± 0.002 Å
• α: 96.78 ± 0.02°
• β: 103.11 ± 0.02°
• γ: 112.67 ± 0.02°
• Cell volume: 1243.7 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No