Information card for entry 4304646

Structure parameters

• Formula: C26 H46 Au Cl N6 O2
• Calculated formula: C26 H46 Au Cl N6 O2
• SMILES: C1(N(C=CN1CC(=O)NC(C)(C)C)C(C)(C)C)=[Au]=C1N(C=CN1CC(=O)NC(C)(C)C)C(C)(C)C.[Cl-]
• Title of publication: From Large 12-Membered Macrometallacycles to Ionic (NHC)2M+Cl- Type Complexes of Gold and Silver by Modulation of the N-Substituent of Amido-Functionalized N-Heterocyclic Carbene (NHC) Ligands
• Authors of publication: Manoja K. Samantaray; Keliang Pang; Mobin M. Shaikh; Prasenjit Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4153 - 4165
• a: 15.004 ± 0.0006 Å
• b: 16.427 ± 0.0007 Å
• c: 12.5535 ± 0.0007 Å
• α: 90°
• β: 94.669 ± 0.004°
• γ: 90°
• Cell volume: 3083.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No