Information card for entry 7114881

Structure parameters

• Formula: C56 H70.5 Cl2 N12.5 O13 Ru
• Calculated formula: C56 H70.5 Cl2 N12.5 O13 Ru
• Title of publication: Anion selectivity properties of ruthenium(ii) tris(5,5′-diamide-2,2′-bipyridine) receptors dictated by solvent and amide substituent
• Authors of publication: Uppadine, Lindsay H.; Beer, Paul D.; Drew, Michael G. B.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 291
• a: 13.759 ± 0.014 Å
• b: 16.711 ± 0.017 Å
• c: 15.811 ± 0.016 Å
• α: 90°
• β: 114.533 ± 0.01°
• γ: 90°
• Cell volume: 3307 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2264
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.2983
• Weighted residual factors for all reflections included in the refinement: 0.3532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No