Information card for entry 4332348

Structure parameters

• Formula: C36 H33 N6 Ru
• Calculated formula: C36 H33 N6 Ru
• SMILES: [Ru]123([n]4c(cccc4N1c1ccccc1)C)([n]1c(cccc1N2c1ccccc1)C)[n]1c(cccc1N3c1ccccc1)C
• Title of publication: Synthesis, Characterization, and Electrochemistry of Diruthenium(III,II) and Monoruthenium(III) Complexes Containing Pyridyl-Substituted 2-Anilinopyridinate Ligands
• Authors of publication: Kadish, Karl M.; Nguyen, Minh; Van Caemelbecke, Eric; Bear, John L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5996 - 6003
• a: 9.7954 ± 0.0004 Å
• b: 12.7306 ± 0.0005 Å
• c: 13.0719 ± 0.0006 Å
• α: 81.534 ± 0.001°
• β: 75.846 ± 0.001°
• γ: 79.352 ± 0.001°
• Cell volume: 1544.45 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No