Information card for entry 7024421

Structure parameters

• Formula: C18 H14 Cl Hg P S
• Calculated formula: C18 H14 Cl Hg P S
• SMILES: [Hg]1(Cl)[S]=P(c2c1cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Cycloaurated triphenylphosphine-sulfide and -selenide.
• Authors of publication: Kilpin, Kelly J.; Henderson, William; Nicholson, Brian K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1855 - 1864
• a: 8.8845 ± 0.0001 Å
• b: 17.2034 ± 0.0001 Å
• c: 11.2712 ± 0.0002 Å
• α: 90°
• β: 101.85 ± 0.01°
• γ: 90°
• Cell volume: 1686.02 ± 0.07 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No