Information card for entry 7055436

Structure parameters

• Formula: C33 H32 Cl2 N9 O9.5 Ru
• Calculated formula: C33 H32 Cl2 N9 O9.5 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: 9.2008 ± 0.0007 Å
• b: 33.423 ± 0.003 Å
• c: 11.4925 ± 0.0008 Å
• α: 90°
• β: 92.999 ± 0.007°
• γ: 90°
• Cell volume: 3529.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2066
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No