Information card for entry 4321357

Structure parameters

• Formula: C40 H33 Cl2 F6 N8 O P2 Ru
• Calculated formula: C40 H33 Cl2 F6 N8 O P2 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3c(N=[N]1c1ncccc1)cccc3)([n]1c(N=[N]2c2ncccc2)cccc1)C#[O].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Chemistry of Metal-Bound Anion Radicals. A Family of Mono- and Bis(azopyridine) Chelates of Bivalent Ruthenium
• Authors of publication: Maya Shivakumar; Kausikisankar Pramanik; Indranil Bhattacharyya; Animesh Chakravorty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4332 - 4338
• a: 14.174 ± 0.006 Å
• b: 16.451 ± 0.004 Å
• c: 18.381 ± 0.004 Å
• α: 90°
• β: 98 ± 0.03°
• γ: 90°
• Cell volume: 4244 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.1648
• Weighted residual factors for significantly intense reflections: 0.1461
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No