Information card for entry 4071465

Structure parameters

• Formula: C29 H41 Ag Br Cl3 N2
• Calculated formula: C29 H41 Ag Br Cl3 N2
• SMILES: C1(N(c2c(C(C)C)cccc2C(C)C)CCCN1c1c(C(C)C)cccc1C(C)C)=[Ag]Br.C(Cl)(Cl)Cl
• 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: 10.7457 ± 0.0003 Å
• b: 16.723 ± 0.0005 Å
• c: 17.9327 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3222.51 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0853
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9486
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No