Information card for entry 4327183

Structure parameters

• Formula: C38 H21 Ag Cl3 F3 N4
• Calculated formula: C38 H21 Ag Cl3 F3 N4
• SMILES: [Ag]123[n]4c5c6[n]3c(=C(c3[n]2c(=C(c2n1c(C(=c4cc5)c1ccc(F)cc1)cc2)c1ccc(F)cc1)cc3)c1ccc(F)cc1)cc6.C(Cl)(Cl)Cl
• Title of publication: Synthesis and Molecular Structure of Gold Triarylcorroles
• Authors of publication: Kolle E. Thomas; Abraham B. Alemayehu; Jeanet Conradie; Christine Beavers; Abhik Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12844 - 12851
• a: 20.2684 ± 0.0009 Å
• b: 20.2432 ± 0.0009 Å
• c: 15.6451 ± 0.0007 Å
• α: 90°
• β: 90.478 ± 0.003°
• γ: 90°
• Cell volume: 6418.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No