Information card for entry 2006894

Structure parameters

• Chemical name: Di-u-acetatobis(dicarbonyl(3,5-dimethylpyrazole)ruthenium(I))
• Formula: C18 H22 N4 O8 Ru2
• Calculated formula: C18 H22 N4 O8 Ru2
• SMILES: Cc1cc(C)[nH][n]1[Ru]12(C#[O])(C#[O])[O]=C(C)O[Ru]2([n]2c(cc(C)[nH]2)C)(C#[O])(C#[O])[O]=C(C)O1
• 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: 9.292 ± 0.001 Å
• b: 13.731 ± 0.001 Å
• c: 18.639 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2378.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: B b 21 m
• Hall space group symbol: B -2 -2b
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.169
• Weighted residual factors for significantly intense reflections: 0.168
• Goodness-of-fit parameter for all reflections: 1.199
• Goodness-of-fit parameter for significantly intense reflections: 1.242
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No