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Information card for entry 2219957
Preview
Coordinates | 2219957.cif |
---|---|
Structure factors | 2219957.hkl |
Original IUCr paper | HTML |
Chemical name | <i>trans</i>-Diaquabis(2,2'-bipyridine-κ^2^N,N')ruthenium(II) bis(trifluoromethanesulfonate) |
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Formula | C22 H20 F6 N4 O8 Ru S2 |
Calculated formula | C22 H20 F6 N4 O8 Ru S2 |
SMILES | c1cccc2c3cccc[n]3[Ru]3([n]12)([OH2])([n]1ccccc1c1cccc[n]31)[OH2].S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-] |
Title of publication | <i>trans</i>-Diaquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) bis(trifluoromethanesulfonate) |
Authors of publication | Jude, Hershel; White, Peter S.; Dattelbaum, Dana M.; Rocha, Reginaldo C. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 11 |
Pages of publication | m1388 - m1389 |
a | 8.6569 ± 0.0005 Å |
b | 14.1272 ± 0.0008 Å |
c | 11.3226 ± 0.0006 Å |
α | 90° |
β | 93.095 ± 0.003° |
γ | 90° |
Cell volume | 1382.71 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0263 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0607 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/2219957.html
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