Information card for entry 7016959

Structure parameters

• Formula: C23 H21 Au N2 S
• Calculated formula: C23 H21 Au N2 S
• SMILES: c1(ccccc1)S[Au]=C1N(C=CN1Cc1ccccc1)Cc1ccccc1
• 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: 8.1925 ± 0.0005 Å
• b: 9.3756 ± 0.0006 Å
• c: 13.6642 ± 0.0008 Å
• α: 73.838 ± 0.002°
• β: 81.532 ± 0.002°
• γ: 82.739 ± 0.002°
• Cell volume: 993.04 ± 0.11 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 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: 0.0861
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No