Information card for entry 4071468

Structure parameters

• Formula: C27 H30 Ag Br N2
• Calculated formula: C27 H30 Ag Br N2
• SMILES: [Ag](Br)=C1N(Cc2c(CN1c1c(cc(cc1C)C)C)cccc2)c1c(cc(cc1C)C)C
• Title of publication: Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures
• Authors of publication: Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3279
• a: 9.902 ± 0.002 Å
• b: 17.068 ± 0.003 Å
• c: 15.94 ± 0.003 Å
• α: 90°
• β: 107.68 ± 0.03°
• γ: 90°
• Cell volume: 2566.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No