Information card for entry 4304643

Structure parameters

• Formula: C43.33333 H62 Ag2 N6.66667 O2
• Calculated formula: C43.3333 H62 Ag2 N6.66667 O2
• SMILES: N1([Ag]=C2N(C=CN2CC(=O)N([Ag]=C2N(C=CN2CC1=O)C(C)(C)C)c1c(C(C)C)cccc1C(C)C)C(C)(C)C)c1c(C(C)C)cccc1C(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: 10.443 ± 0.004 Å
• b: 15.018 ± 0.002 Å
• c: 23.5459 ± 0.0017 Å
• α: 103.069 ± 0.009°
• β: 101.016 ± 0.015°
• γ: 104.51 ± 0.02°
• Cell volume: 3360.1 ± 1.5 ų
• Cell temperature: 120 ± 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: 0.1801
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No