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Information card for entry 2013708
Preview
Coordinates | 2013708.cif |
---|---|
Structure factors | 2013708.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ-trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)] |
---|---|
Formula | C18 H10 F6 N2 O8 Ru2 |
Calculated formula | C18 H10 F6 N2 O8 Ru2 |
SMILES | [Ru]12([Ru](C#[O])(C#[O])(OC(=[O]1)C(F)(F)F)(OC(=[O]2)C(F)(F)F)[n]1ccccc1)(C#[O])(C#[O])[n]1ccccc1 |
Title of publication | Di-μ-benzoato-bis[dicarbonyl(pyridine)ruthenium(I)] (new polymorph) and di-μ-trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)] |
Authors of publication | Deacon, Glen B.; Pearson, Pauline; Skelton, Brian W.; Spiccia, Leone; White, Allan H. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 12 |
Pages of publication | m537 - m539 |
a | 9.211 ± 0.002 Å |
b | 9.292 ± 0.002 Å |
c | 15.266 ± 0.004 Å |
α | 105.28 ± 0.006° |
β | 94.669 ± 0.006° |
γ | 111.726 ± 0.006° |
Cell volume | 1147.3 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for all reflections | 0.064 |
Weighted residual factors for all reflections included in the refinement | 0.06 |
Goodness-of-fit parameter for all reflections | 1.069 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2013708.html
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Users of the data should acknowledge the original authors of the
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