Information card for entry 4323177

Structure parameters

• Formula: C48 H39 Cl N3 O P2 Ru
• Calculated formula: C48 H39 Cl N3 O P2 Ru
• SMILES: [Ru]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2c(N=[N]1c1ccccc1)cccc2)C#[O]
• 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: 17.244 ± 0.009 Å
• b: 11.047 ± 0.004 Å
• c: 22.076 ± 0.007 Å
• α: 90°
• β: 97.28 ± 0.04°
• γ: 90°
• Cell volume: 4171 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.1072
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No