Information card for entry 7016953

Structure parameters

• Formula: C34 H32 Au Br N4
• Calculated formula: C34 H32 Au Br N4
• SMILES: [Au](=C1N(C=CN1Cc1ccccc1)Cc1ccccc1)=C1N(C=CN1Cc1ccccc1)Cc1ccccc1.[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: 15.0297 ± 0.001 Å
• b: 11.0439 ± 0.0009 Å
• c: 22.6718 ± 0.0013 Å
• α: 90°
• β: 128.227 ± 0.003°
• γ: 90°
• Cell volume: 2956.2 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No