Information card for entry 4111320

Structure parameters

• Formula: C31 H30 Ag Cl N2 O2.5
• Calculated formula: C29 H26 Ag Cl N2 O2
• SMILES: C1(N(C2C(=O)c3ccccc3C(=O)C=2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ag]Cl
• Title of publication: Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry
• Authors of publication: Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16514 - 16515
• a: 19.196 ± 0.0007 Å
• b: 19.196 ± 0.0007 Å
• c: 15.0434 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5543.3 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No