Information card for entry 7016951

Structure parameters

• Formula: C11 H12 Au Br I2 N2
• Calculated formula: C11 H12 Au Br I2 N2
• SMILES: [Au](I)(I)(Br)=C1N(C)C=CN1Cc1ccccc1
• Title of publication: Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.
• Authors of publication: Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9899 - 9910
• a: 8.437 ± 0.001 Å
• b: 8.7674 ± 0.001 Å
• c: 11.3565 ± 0.0014 Å
• α: 94.813 ± 0.014°
• β: 98.104 ± 0.014°
• γ: 105.834 ± 0.013°
• Cell volume: 793.47 ± 0.18 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0382
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No