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Information card for entry 2232230
Preview
Coordinates | 2232230.cif |
---|---|
Structure factors | 2232230.hkl |
Original IUCr paper | HTML |
Common name | Diaquabis(dimethyl sulfoxide-κ<i>O</i>)disaccharinatocadmium |
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Chemical name | Diaquabis(dimethyl sulfoxide)bis(1,1,3-trioxo-2,3-dihydro-1λ^6^,2-benzothiazol-2-ido)cadmium |
Formula | C18 H24 Cd N2 O10 S4 |
Calculated formula | C18 H24 Cd N2 O10 S4 |
SMILES | c12ccccc1C(=O)N([Cd]([OH2])(N1C(=O)c3c(cccc3)S1(=O)=O)([O]=S(C)C)([O]=S(C)C)[OH2])S2(=O)=O |
Title of publication | Diaquabis(dimethyl sulfoxide-κ<i>O</i>)disaccharinatocadmium |
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 | 11 |
Pages of publication | m1635 |
a | 10.2613 ± 0.0005 Å |
b | 15.4294 ± 0.0008 Å |
c | 7.9951 ± 0.0004 Å |
α | 90° |
β | 98.889 ± 0.001° |
γ | 90° |
Cell volume | 1250.63 ± 0.11 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 | 0.0332 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0575 |
Weighted residual factors for all reflections included in the refinement | 0.0608 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2232230.html
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Users of the data should acknowledge the original authors of the
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