Information card for entry 2006893

Structure parameters

• Chemical name: Di-μ-acetatobis(dicarbonyl(pyrazole)ruthenium(I))
• Formula: C14 H14 N4 O8 Ru2
• Calculated formula: C14 H14 N4 O8 Ru2
• SMILES: [Ru]12([Ru](OC(=[O]1)C)(OC(=[O]2)C)([n]1[nH]ccc1)(C#[O])C#[O])([n]1[nH]ccc1)(C#[O])C#[O]
• Title of publication: Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]
• Authors of publication: Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1782 - 1784
• a: 8.332 ± 0.001 Å
• b: 9.524 ± 0.001 Å
• c: 13.539 ± 0.002 Å
• α: 90.02 ± 0.01°
• β: 100.32 ± 0.02°
• γ: 111.33 ± 0.01°
• Cell volume: 982.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No