Information card for entry 7708255

Structure parameters

• Formula: C14 H15 N5 O10 Ru
• Calculated formula: C14 H15 N5 O10 Ru
• SMILES: [Ru](O)(N(=O)=O)([n]1cc(C(=O)OC)ccc1)(N=O)([n]1cccc(c1)C(=O)OC)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: 10.3004 ± 0.0009 Å
• b: 16.2916 ± 0.0012 Å
• c: 11.4935 ± 0.0009 Å
• α: 90°
• β: 94.844 ± 0.003°
• γ: 90°
• Cell volume: 1921.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.049
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No