Information card for entry 4323178

Structure parameters

• Formula: C50 H42 Cl6 F6 N3 O P3 Ru
• Calculated formula: C50 H42 Cl6 F6 N3 O P3 Ru
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)([n]2c(N=[N]1c1ccc(Cl)cc1)cccc2)C#[O].[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl
• Title of publication: Isolation and Structure of the First Azo Anion Radical Complexes of Ruthenium
• Authors of publication: Maya Shivakumar; Kausikisankar Pramanik; Prasanta Ghosh; Animesh Chakravorty
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5968 - 5969
• a: 15.041 ± 0.007 Å
• b: 23.986 ± 0.008 Å
• c: 28.94 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10441 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1163
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.1803
• Weighted residual factors for significantly intense reflections: 0.1346
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No