Information card for entry 7002060

Structure parameters

• Formula: C10 H9 Au Br N S
• Calculated formula: C10 H9 Au Br N S
• SMILES: [Au](Br)=C1SC2=C(N1CC=C)cccc2
• 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: 7.9989 ± 0.0006 Å
• b: 8.0038 ± 0.0006 Å
• c: 9.5214 ± 0.0007 Å
• α: 92.437 ± 0.001°
• β: 94.829 ± 0.001°
• γ: 112.462 ± 0.001°
• Cell volume: 559.48 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No