Information card for entry 7055435

Structure parameters

• Formula: C29 H30 Cl2 N9 O8.5 Ru
• Calculated formula: C29 H30 Cl2 N9 O8.5 Ru
• Title of publication: Tuning of the lowest excited states in mixed ruthenium(ii) polypyridyl complexes having RuN6cores by the conformation of the ancillary ligand. Emission from a3ligand-to-ligand-charge-transfer state
• Authors of publication: Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 5002
• a: 10.8225 ± 0.0004 Å
• b: 18.3578 ± 0.0007 Å
• c: 32.9471 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6545.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1181
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No