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Information card for entry 2006894
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Coordinates | 2006894.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Di-u-acetatobis(dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)) |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2006894.html
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Users of the data should acknowledge the original authors of the
structural data.