Information card for entry 4321663

Structure parameters

• Formula: C6 H20 F6 N8 O6 Ru Si
• Calculated formula: C6 H20 F6 N8 O6 Ru Si
• SMILES: [Ru]([NH3])([NH3])(N=O)([n]1cccc(C(=O)N)c1)([NH3])[NH3].O.[Si](F)(F)(F)(F)([F-])[F-].O=N(=O)[O-]
• Title of publication: On the Photochemical Behavior of the [Ru(NH3)4(NO)nicotinamide]3+ Cation and the Relative Stability of Light-Induced Metastable Isonitrosyl Isomers of Ru Complexes
• Authors of publication: Christopher Kim; Irina Novozhilova; M. Scott Goodman; Kimberly A. Bagley; Philip Coppens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5791 - 5795
• a: 12.264 ± 0.003 Å
• b: 9.2147 ± 0.0018 Å
• c: 15.339 ± 0.003 Å
• α: 90°
• β: 90.5 ± 0.03°
• γ: 90°
• Cell volume: 1733.4 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No