Information card for entry 7010157

Structure parameters

• Formula: C28 H44 Au Cl2 N S2
• Calculated formula: C56 H88 Au Cl4 N S4
• Title of publication: Solid-state luminescence and crystal structures of novel gold(I) benzenethiolate complexes
• Authors of publication: Watase, Seiji; Nakamoto, Masami; Kitamura, Takayuki; Kanehisa, Nobuko; Kai, Yasushi; Yanagida, Shozo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3585
• a: 23.427 ± 0.004 Å
• b: 8.938 ± 0.004 Å
• c: 16.696 ± 0.004 Å
• α: 90°
• β: 118.01 ± 0.01°
• γ: 90°
• Cell volume: 3086.5 ± 1.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections included in the refinement: 0.0285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.559
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No