Information card for entry 4331725

Structure parameters

• Formula: C36 H32 I2 N6 O5 Ru
• Calculated formula: C36 H32 I2 N6 O5 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1ccc(cc1c1[n]3ccc(c1)C(=O)OCC)C(=O)OCC.[I-].[I-].O
• Title of publication: Static and Dynamic Quenching of Ru(II) Polypyridyl Excited States by Iodide
• Authors of publication: Marton, Andras; Clark, Christopher C.; Srinivasan, Ramya; Freundlich, Robert E.; Narducci Sarjeant, Amy A.; Meyer, Gerald J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 362 - 369
• a: 11.9326 ± 0.001 Å
• b: 23.378 ± 0.002 Å
• c: 13.2564 ± 0.0016 Å
• α: 90°
• β: 102.829 ± 0.009°
• γ: 90°
• Cell volume: 3605.7 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.1097
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No