Information card for entry 7024420

Structure parameters

• Formula: C18 H14 Au Cl2 P S
• Calculated formula: C18 H14 Au Cl2 P S
• SMILES: [Au]1(Cl)(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: 8.1875 ± 0.0001 Å
• b: 9.1443 ± 0.0001 Å
• c: 12.4011 ± 0.0001 Å
• α: 98.705 ± 0.001°
• β: 102.795 ± 0.001°
• γ: 90.484 ± 0.001°
• Cell volume: 894.124 ± 0.017 ų
• Cell temperature: 89 K
• Ambient diffraction temperature: 89 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No