Information card for entry 4332326

Structure parameters

• Formula: C36 H32 I6 N6 O4 Ru
• Calculated formula: C36 H32 I6 N6 O4 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccc(cc1c1[n]3ccc(c1)C(=O)OCC)C(=O)OCC.I[I-]I.I[I-]I
• Title of publication: Triiodide Quenching of Ruthenium MLCT Excited State in Solution and on TiO2Surfaces: An Alternate Pathway for Charge Recombination
• Authors of publication: Clark, Christopher C.; Marton, Andras; Srinivasan, Ramya; Narducci Sarjeant, Amy A.; Meyer, Gerald J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 4728 - 4734
• a: 11.132 ± 0.002 Å
• b: 12.4849 ± 0.0019 Å
• c: 16.0516 ± 0.0019 Å
• α: 89.967 ± 0.011°
• β: 84.388 ± 0.012°
• γ: 84.775 ± 0.014°
• Cell volume: 2210.9 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No