Information card for entry 4086524

Structure parameters

• Formula: C38 H42 Ag Cl4 I N6
• Calculated formula: C38 H42 Ag Cl4 I N6
• SMILES: [Ag](I)(=C1N(C=CN1[C@@H](c1ccccc1)[C@@H](N)c1ccccc1)C)=C1N(C=CN1[C@@H](c1ccccc1)[C@@H](N)c1ccccc1)C.ClCCl.ClCCl
• Title of publication: Transition Metal Complexes of an (S,S)-1,2-Diphenylethylamine-Functionalized N-Heterocyclic Carbene: A New Member of the Asymmetric NHC Ligand Family
• Authors of publication: Wan, Kai Y.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1604
• a: 17.2202 ± 0.0005 Å
• b: 20.1926 ± 0.0007 Å
• c: 24.1345 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8392.1 ± 0.5 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No