Information card for entry 7016950

Structure parameters

• Formula: C17 H16 Au Br3 N2
• Calculated formula: C17 H16 Au Br3 N2
• SMILES: C1(N(C=CN1Cc1ccccc1)Cc1ccccc1)=[Au](Br)(Br)Br
• 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: 8.2789 ± 0.001 Å
• b: 10.7617 ± 0.0015 Å
• c: 11.1118 ± 0.0015 Å
• α: 98.946 ± 0.005°
• β: 92.925 ± 0.004°
• γ: 100.948 ± 0.004°
• Cell volume: 956.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No