Information card for entry 7012341

Structure parameters

• Formula: C7 H12 Au Br4 I N2 S2
• Calculated formula: C7 H12 Au Br4 I N2 S2
• SMILES: C12C(N(CCCN1C)C)=[S][Au]([S]=2)(Br)Br.Br[I-]Br
• Title of publication: New powerful reagents based on dihalogen/N,N'-dimethylperhydrodiazepine-2,3-dithione adducts for gold dissolution: the IBr case
• Authors of publication: Lorenzo Cau; Paola Deplano; Luciano Marchiò; Maria Laura Mercuri; Luca Pilia; Angela Serpe; Emanuele F. Trogu
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1969 - 1974
• a: 26.523 ± 0.008 Å
• b: 10.191 ± 0.006 Å
• c: 14.549 ± 0.007 Å
• α: 90°
• β: 111.57 ± 0.02°
• γ: 90°
• Cell volume: 3657 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1343
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No