Information card for entry 4324158

Structure parameters

• Formula: C30 H22 Cl7 N5 O5 Ru
• Calculated formula: C30 H22 Cl7 N5 O5 Ru
• SMILES: [Ru]123(Cl)([n]4ccc5ccccc5c4C(=O)N1c1c(N2C(=O)c2[n]3ccc3c2cccc3)cc(OC)c(c1)OC)N=O.ClC(Cl)Cl.ClC(Cl)Cl
• 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: 12.2656 ± 0.0011 Å
• b: 16.9131 ± 0.0015 Å
• c: 20.0497 ± 0.0013 Å
• α: 90°
• β: 127.317 ± 0.004°
• γ: 90°
• Cell volume: 3307.9 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No