Information card for entry 7007670

Structure parameters

• Formula: C28 H28 Cl2 I O3 P Se
• Calculated formula: C28 H28 Cl2 I O3 P Se
• SMILES: c1(c(cccc1)OC)[P+](c1c(cccc1)OC)(c1c(cccc1)OC)[Se]c1ccccc1.C(Cl)Cl.[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: 9.424 ± 0.004 Å
• b: 11.877 ± 0.005 Å
• c: 13.986 ± 0.007 Å
• α: 87.32 ± 0.02°
• β: 80.04 ± 0.02°
• γ: 68.418 ± 0.016°
• Cell volume: 1433.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No