Information card for entry 7010729

Structure parameters

• Common name: trans(Cl)-[Ru(4,4'-phosbpy)(CO)2Cl2]
• Formula: C12 H17 Cl2 N2 O11.5 P2 Ru
• Calculated formula: C12 H17 Cl2 N2 O11.5 P2 Ru
• SMILES: [Ru]1(Cl)(Cl)(C#[O])(C#[O])[n]2ccc(cc2c2[n]1ccc(c2)P(=O)(O)O)P(=O)(O)O.O.O.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: 12.9936 ± 0.0003 Å
• b: 26.5886 ± 0.0007 Å
• c: 12.1315 ± 0.0003 Å
• α: 90°
• β: 99.9532 ± 0.0016°
• γ: 90°
• Cell volume: 4128.13 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.1034
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No