Information card for entry 7010728

Structure parameters

• Common name: trans(Cl)-[Ru(4,4'-NObpy)(CO)2Cl2]
• Formula: C12 H6 Cl2 N4 O6 Ru
• Calculated formula: C12 H6 Cl2 N4 O6 Ru
• SMILES: [Ru]1(Cl)(Cl)(C#[O])(C#[O])[n]2ccc(N(=O)=O)cc2c2[n]1ccc(c2)N(=O)=O
• Title of publication: Electron withdrawing and electron donating effects of 4,4'-bipyridine substituents on ruthenium mono(bipyridine) complexes
• Authors of publication: Toni-J. J. Kinnunen; Matti Haukka; Matti Nousiainen; Antti Patrikka; Tapani A. Pakkanen
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 2649 - 2654
• a: 21.6703 ± 0.0009 Å
• b: 38.6235 ± 0.0005 Å
• c: 7.8367 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6559.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No