Information card for entry 4314349

Structure parameters

• Formula: C13.5 H13 N3 O6.5 Ru
• Calculated formula: C13.5 H11 N3 O6.5 Ru
• Title of publication: Regulation of Geometry around the Ruthenium Center of Bis(2-pyridinecarboxylato) Complexes by the Nitrosyl Moiety: Syntheses, Structures, and Theoretical Studies
• Authors of publication: Toshiyuki Hirano; Takao Oi; Hirotaka Nagao; Keiji Morokuma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6575 - 6583
• a: 8.12 ± 0.001 Å
• b: 16.65 ± 0.001 Å
• c: 11.51 ± 0.001 Å
• α: 90°
• β: 99.07 ± 0.01°
• γ: 90°
• Cell volume: 1536.7 ± 0.3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No