Information card for entry 7002062

Structure parameters

• Formula: C11 H11 Au Br3 Cl2 N S
• Calculated formula: C11 H11 Au Br3 Cl2 N S
• Title of publication: One-step formation of cyclometallated Au(III) N,S-heterocyclic carbene: crystallographic analysis
• Authors of publication: Han, Xiaoyan; Koh, Lip Lin; Weng, Zhiqiang; Hor, T. S. Andy
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7248
• a: 7.8579 ± 0.0011 Å
• b: 10.8044 ± 0.0015 Å
• c: 11.3771 ± 0.0015 Å
• α: 64.654 ± 0.002°
• β: 78.777 ± 0.003°
• γ: 87.187 ± 0.003°
• Cell volume: 855.6 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No