Information card for entry 4075311

Structure parameters

• Formula: C54 H92 Ag2 Br2 N4
• Calculated formula: C54 H92 Ag2 Br2 N4
• SMILES: [Ag](=C1N(c2ccccc2N1CCCCCCCCCC)CCCCCCCCCC)=C1N(c2ccccc2N1CCCCCCCCCC)CCCCCCCCCC.[Ag](Br)[Br-]
• Title of publication: Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains
• Authors of publication: Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3768
• a: 18.39 ± 0.002 Å
• b: 17.075 ± 0.0017 Å
• c: 18.536 ± 0.004 Å
• α: 90°
• β: 98.827 ± 0.012°
• γ: 90°
• Cell volume: 5751.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2121
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No