Information card for entry 7007672

Structure parameters

• Formula: C27 H26 I3 P S3 Se
• Calculated formula: C27 H26 I3 P S3 Se
• SMILES: c1(ccccc1)[Se][P+](c1c(cccc1)SC)(c1c(cccc1)SC)c1c(cccc1)SC.I[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: 9.2013 ± 0.0001 Å
• b: 28.561 ± 0.0004 Å
• c: 11.8494 ± 0.0002 Å
• α: 90°
• β: 102.755 ± 0.001°
• γ: 90°
• Cell volume: 3037.16 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No