Information card for entry 7024418

Structure parameters

• Formula: C18 H14 Au Cl2 P Se
• Calculated formula: C18 H14 Au Cl2 P Se
• SMILES: [Au]1([Se]=P(c2c1cccc2)(c1ccccc1)c1ccccc1)(Cl)Cl
• 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: 8.1506 ± 0.0001 Å
• b: 9.2374 ± 0.0001 Å
• c: 12.4369 ± 0.0002 Å
• α: 80.142 ± 0.001°
• β: 76.934 ± 0.001°
• γ: 89.994 ± 0.001°
• Cell volume: 897.94 ± 0.02 ų
• Cell temperature: 89 K
• Ambient diffraction temperature: 89 ± 2 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: 0.0161
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No