Information card for entry 4304644

Structure parameters

• Formula: C24 H42 Au Cl N6 O2
• Calculated formula: C24 H42 Au Cl N6 O2
• SMILES: C(C)(C)(C)NC(=O)CN1C(=[Au]=C2N(C=CN2CC(=O)NC(C)(C)C)C(C)C)N(C=C1)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: 14.76 ± 0.0013 Å
• b: 15.425 ± 0.003 Å
• c: 13.2705 ± 0.001 Å
• α: 90°
• β: 94.175 ± 0.007°
• γ: 90°
• Cell volume: 3013.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No