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Information card for entry 2232664
Preview
Coordinates | 2232664.cif |
---|---|
Structure factors | 2232664.hkl |
Original IUCr paper | HTML |
Common name | Bis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)zinc(II) |
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Chemical name | Bis(dimethyl sulfoxide-κ<i>O</i>)bis(1,1,3-trioxo-2,3-dihydro-1λ^6^,2- benzothiazol-2-ido)zinc(II) |
Formula | C18 H20 N2 O8 S4 Zn |
Calculated formula | C18 H20 N2 O8 S4 Zn |
SMILES | [Zn]([O]=S(C)C)([O]=S(C)C)(N1S(=O)(=O)c2ccccc2C1=O)N1S(=O)(=O)c2ccccc2C1=O |
Title of publication | Bis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)zinc(II) |
Authors of publication | Potwana, Fezile S. W.; Shandu, Bongakonke E.; Van Zyl, Werner E. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 12 |
Pages of publication | m1665 |
a | 19.2506 ± 0.0007 Å |
b | 8.2855 ± 0.0003 Å |
c | 14.888 ± 0.0005 Å |
α | 90° |
β | 103.46 ± 0.001° |
γ | 90° |
Cell volume | 2309.42 ± 0.14 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 | 0.039 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.0668 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/2232664.html
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