Information card for entry 4323528

Structure parameters

• Chemical name: Dioxonium pentachloronitrosylruthenate(II)
• Formula: Cl5 H6 N O3 Ru
• Calculated formula: Cl5 N O3 Ru
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)(Cl)N=O.[OH3+].[OH3+]
• 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: 13.462 ± 0.005 Å
• b: 6.91 ± 0.003 Å
• c: 10.526 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 979.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.0976
• Goodness-of-fit parameter for all reflections: 0.935
• Goodness-of-fit parameter for significantly intense reflections: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No