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Information card for entry 2232569
Preview
Coordinates | 2232569.cif |
---|---|
Structure factors | 2232569.hkl |
Original IUCr paper | HTML |
Common name | Diaquabis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)cobalt(II) |
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Chemical name | Diaquabis(dimethyl sulfoxide-κ<i>O</i>)bis(1,1,3-trioxo-2,3- dihydro-1λ^6^,2-benzothiazol-2-ido-κ<i>N</i>)cobalt(II) |
Formula | C18 H24 Co N2 O10 S4 |
Calculated formula | C18 H24 Co N2 O10 S4 |
SMILES | c12ccccc1C(=O)N(S2(=O)=O)[Co]([O]=S(C)C)([OH2])(N1C(=O)c2c(cccc2)S1(=O)=O)([O]=S(C)C)[OH2] |
Title of publication | Diaquabis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)cobalt(II) |
Authors of publication | Potwana, Fezile S. W.; Van Zyl, Werner E. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 12 |
Pages of publication | m1667 - m1668 |
a | 10.2304 ± 0.0003 Å |
b | 15.1418 ± 0.0006 Å |
c | 7.8615 ± 0.0003 Å |
α | 90° |
β | 98.068 ± 0.002° |
γ | 90° |
Cell volume | 1205.75 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0475 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/2232569.html
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Users of the data should acknowledge the original authors of the
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