Information card for entry 7056368

Structure parameters

• Formula: C12 H15 N5 O6 Ru
• Calculated formula: C12 H15 N5 O6 Ru
• SMILES: [Ru](O)(N=O)(N(=O)=O)(N(=O)=O)([n]1ccc(cc1)C)[n]1ccc(cc1)C
• Title of publication: Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.
• Authors of publication: Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 9.459 ± 0.0002 Å
• b: 9.9164 ± 0.0003 Å
• c: 17.3619 ± 0.0005 Å
• α: 90°
• β: 94.27 ± 0.001°
• γ: 90°
• Cell volume: 1624.01 ± 0.08 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• 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: 0.0192
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No