Information card for entry 7225971

Structure parameters

• Formula: C53 H40 Cl3 N5 O10 P2 Ru
• Calculated formula: C53 H40 Cl3 N5 O10 P2 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(N(c3c4[n]1cccc4c(cc3)N(=O)=O)C(=O)c1c2ccc(c1)N(=O)=O)N=O.Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Site-specific orthometallation via C‒H bond activation and syntheses of ruthenium (III) organometallics: Studies on nitric oxide (NO) reactivity and photorelease of coordinated NO
• Authors of publication: Ghosh, Kaushik; Kumar, Rajan; Kumar, Sushil; Bala, Manju; Ratnam, Anand; Singh, Udai P.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.0096 ± 0.0005 Å
• b: 12.6429 ± 0.0005 Å
• c: 19.2406 ± 0.0008 Å
• α: 81.34 ± 0.002°
• β: 86.3 ± 0.002°
• γ: 64.743 ± 0.002°
• Cell volume: 2612.02 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No