Information card for entry 7016952

Structure parameters

• Formula: C22 H24 Au Br N4
• Calculated formula: C22 H24 Au Br N4
• SMILES: C1(N(C=CN1C)Cc1ccccc1)=[Au]=C1N(C=CN1Cc1ccccc1)C.[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: 13.0537 ± 0.0006 Å
• b: 13.0537 ± 0.0006 Å
• c: 68.414 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10095.8 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No