Information card for entry 7708254

Structure parameters

• Formula: C16 H19 N5 O10 Ru
• Calculated formula: C16 H19 N5 O10 Ru
• SMILES: [Ru]([n]1cc(C(=O)OCC)ccc1)(O)(N(=O)=O)(N(=O)=O)(N=O)[n]1cccc(C(=O)OCC)c1
• 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: 10.5495 ± 0.0012 Å
• b: 17.8137 ± 0.0018 Å
• c: 11.4884 ± 0.0019 Å
• α: 90°
• β: 96.879 ± 0.003°
• γ: 90°
• Cell volume: 2143.4 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No