Information card for entry 4323532

Structure parameters

• Chemical name: (4,4-dicarboxylic acid)2,2-bipyridine hydrochloride
• Formula: C12 H9 Cl N2 O4
• Calculated formula: C12 H9 Cl N2 O4
• SMILES: [Cl-].n1c(cccc1c1[nH+]c(ccc1)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: 12.062 ± 0.005 Å
• b: 7.982 ± 0.003 Å
• c: 13.382 ± 0.004 Å
• α: 90°
• β: 107.78 ± 0.03°
• γ: 90°
• Cell volume: 1226.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0817
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.0585
• Goodness-of-fit parameter for all reflections: 0.688
• Goodness-of-fit parameter for significantly intense reflections: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No