Information card for entry 4323529

Structure parameters

• Chemical name: (4,4'-dicarboxylic acid 2,2'-bipyridine)trichloronitrosyl ruthenium(II)
• Formula: C12 H8 Cl3 N3 O5 Ru
• Calculated formula: C12 H8 Cl3 N3 O5 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)(N=O)[n]2ccc(cc2c2[n]1ccc(c2)C(=O)O)C(=O)O
• Title of publication: Formation of Ruthenium Nitrosyl Complexes: Reactions of Ru(bpy)(CO)2Cl2 and Its Methyl-Substituted Analogues Ru(4,4'-dmbpy)(CO)2Cl2 and Ru(6,6'-dmbpy)(CO)2Cl2 in Oxidizing Acidic Solutions
• Authors of publication: Pertti Homanen; Matti Haukka; Markku Ahlgrén; Tapani A. Pakkanen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3794 - 3797
• a: 8.359 ± 0.002 Å
• b: 19.625 ± 0.008 Å
• c: 10.339 ± 0.004 Å
• α: 90°
• β: 110.5 ± 0.02°
• γ: 90°
• Cell volume: 1588.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.084
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.0801
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No