Information card for entry 4316286

Structure parameters

• Formula: C51 H40 Cl4 N4 O10 P2 Ru
• Calculated formula: C51 H40 Cl4 N4 O10 P2 Ru
• SMILES: [Ru]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2cc(N(=O)=O)ccc2c2[n]1c1cc(cc(N(=O)=O)c1o2)C)N=O.Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Oxidative Cyclization of a Phenolic Schiff Base and Synthesis of a Cyclometalated Ruthenium Nitrosyl Complex: Photoinduced NO Release by Visible Light
• Authors of publication: Kaushik Ghosh; Sushil Kumar; Rajan Kumar; Udai P. Singh; Nidhi Goel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7235 - 7237
• a: 11.6704 ± 0.0007 Å
• b: 21.2006 ± 0.0011 Å
• c: 19.7591 ± 0.0012 Å
• α: 90°
• β: 93.594 ± 0.003°
• γ: 90°
• Cell volume: 4879.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No