Information card for entry 7024419

Structure parameters

• Formula: C14 H24 Au Cl2 N2 P S
• Calculated formula: C14 H24 Au Cl2 N2 P S
• SMILES: [Au]1(Cl)(Cl)[S]=P(N(CC)CC)(N(CC)CC)c2c1cccc2
• 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: 27.3998 ± 0.0009 Å
• b: 7.952 ± 0.0003 Å
• c: 17.1925 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3746 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No