Information card for entry 7002061

Structure parameters

• Formula: C21 H20 Au Cl2 I5 N2 S2
• Calculated formula: C21 H20 Au Cl2 I5 N2 S2
• 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: 11.1192 ± 0.0009 Å
• b: 11.3298 ± 0.0009 Å
• c: 13.0049 ± 0.001 Å
• α: 86.981 ± 0.002°
• β: 74.88 ± 0.002°
• γ: 82.729 ± 0.002°
• Cell volume: 1568.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No