Information card for entry 4089515

Structure parameters

• Formula: C21 H23 Au Cl N3
• Calculated formula: C21 H23 Au Cl N3
• SMILES: [Au](Cl)c1n([n+](nc1c1ccc(cc1)C)c1ccccc1)C1CCCCC1
• Title of publication: Gold(I) Complexes with “Normal” 1,2,3-Triazolylidene Ligands: Synthesis and Catalytic Properties
• Authors of publication: Schaper, Lars-Arne; Wei, Xuhui; Hock, Sebastian J.; Pöthig, Alexander; Öfele, Karl; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3376
• a: 9.7218 ± 0.0006 Å
• b: 17.9719 ± 0.0011 Å
• c: 22.2856 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3893.7 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections included in the refinement: 0.0272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No