Information card for entry 4071466

Structure parameters

• Chemical name: Dr Athanasia Dervisi
• Formula: C23 H30 Ag Br N2
• Calculated formula: C23 H30 Ag Br N2
• SMILES: C1(N(CCCCN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)=[Ag]Br
• 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: 8.4959 ± 0.0001 Å
• b: 19.0544 ± 0.0002 Å
• c: 13.9272 ± 0.0002 Å
• α: 90°
• β: 104.775 ± 0.001°
• γ: 90°
• Cell volume: 2180.05 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No