Information card for entry 4304647

Structure parameters

• Formula: C43.33333 H62 Au2 N6.66667 O2
• Calculated formula: C43.3333 H62 Au2 N6.66667 O2
• SMILES: C12N(C=CN2C(C)(C)C)CC(=O)N([Au]=C2N(C=CN2CC(=O)N([Au]=1)c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C.CC#N
• 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: 10.4137 ± 0.0017 Å
• b: 14.9079 ± 0.0009 Å
• c: 23.467 ± 0.002 Å
• α: 107.295 ± 0.007°
• β: 95.024 ± 0.01°
• γ: 104.362 ± 0.009°
• Cell volume: 3318.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No