Information card for entry 7708256

Structure parameters

• Formula: C16 H19 N5 O10 Ru
• Calculated formula: C16 H19 N5 O10 Ru
• SMILES: [Ru](O)([n]1cc(ccc1)C(=O)OCC)([n]1cc(ccc1)C(=O)OCC)(N(=O)=O)(N=O)N(=O)=O
• Title of publication: Nitric oxide release and related light-induced cytotoxicity of ruthenium nitrosyls with coordinated nicotinate derivatives.
• Authors of publication: Yakovlev, Ivan A.; Mikhailov, Artem A.; Eremina, Julia A.; Klyushova, Lyubov S.; Nadolinny, Vladimir A.; Kostin, Gennadiy A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• a: 12.8083 ± 0.0005 Å
• b: 15.1963 ± 0.0006 Å
• c: 21.7231 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4228.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No