Information card for entry 7010158

Structure parameters

• Formula: C28 H44 Au Cl2 N S2
• Calculated formula: C27.89 H44 Au Cl2 N S2
• 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: 14.191 ± 0.003 Å
• b: 13.549 ± 0.005 Å
• c: 17.109 ± 0.003 Å
• α: 90°
• β: 108.68 ± 0.01°
• γ: 90°
• Cell volume: 3116.3 ± 1.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.645
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No