Information card for entry 4324156

Structure parameters

• Formula: C40 H26 N6 O8 Ru
• Calculated formula: C40 H26 N6 O8 Ru
• SMILES: [Ru]123(N=O)(N(C(=O)c4[n]1ccc1c4cccc1)c1c(N2C(=O)c2[n]3ccc3c2cccc3)cc(OC)c(OC)c1)Oc1cc2OC3C(=Nc2cc1)C=CC(=O)C=3
• Title of publication: Dye-Tethered Ruthenium Nitrosyls Containing Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane Ligand Twist on NO Photolability
• Authors of publication: Nicole L. Fry; Brandon J. Heilman; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 317 - 324
• a: 8.765 ± 0.01 Å
• b: 11.534 ± 0.013 Å
• c: 16.827 ± 0.018 Å
• α: 94.414 ± 0.012°
• β: 91.102 ± 0.011°
• γ: 97.487 ± 0.012°
• Cell volume: 1681 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No