Information card for entry 4080552

Structure parameters

• Formula: C46 H52 Ag2 N6 O2
• Calculated formula: C46 H52 Ag2 N6 O2
• SMILES: C(C)(C)(C)C(=O)N1[Ag]2=C3N(C=CN3N(C(=O)C(C)(C)C)[Ag]2=C2N(C=CN12)c1c([c]c([c]c1C)C)C)c1c([c]c([c]c1C)C)C.c1ccccc1.c1ccccc1
• Title of publication: N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity
• Authors of publication: Guernon, Hannah; Legault, Claude Y.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1988
• a: 10.3921 ± 0.0016 Å
• b: 10.4385 ± 0.0016 Å
• c: 11.108 ± 0.0017 Å
• α: 101.011 ± 0.004°
• β: 109.771 ± 0.004°
• γ: 98.455 ± 0.005°
• Cell volume: 1083.5 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No