Information card for entry 4313594

Structure parameters

• Formula: C86 H99 B2 Cl4 F8 N5 O4 Rh2
• Calculated formula: C86 H99 B2 Cl4 F8 N5 O4 Rh2
• SMILES: [Rh]1234([CH]5=[CH]1C1[CH]3=[CH]2C5C1)[n]1ccc(cc1c1[n]4ccc(c1)C)COc1c2Cc3cc(cc(Cc4c(OCc5cc6[n]([Rh]789([CH]%10=[CH]7C7[CH]9=[CH]8C%10C7)[n]7ccc(cc67)C)cc5)c(Cc5c(O)c(cc(c5)C(C)(C)C)Cc1cc(c2)C(C)(C)C)cc(c4)C(C)(C)C)c3O)C(C)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClCCl.ClCCl.C(#N)C
• Title of publication: A New Ligand System Based on a Bipyridine-Functionalized Calix[4]arene Backbone Leading to Mono- and Bimetallic Complexes
• Authors of publication: Reto Dorta; Linda J. W. Shimon; Haim Rozenberg; Yehoshoa Ben-David; David Milstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3160 - 3167
• a: 15.191 ± 0.003 Å
• b: 23.208 ± 0.005 Å
• c: 47.149 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16623 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No