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Information card for entry 2218019
Preview
Coordinates | 2218019.cif |
---|---|
Structure factors | 2218019.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[diaquacadmium(II)]bis(μ-pyridine-3-sulfonato)- κ^2^N:O;κ^2^O:N] |
---|---|
Formula | C10 H12 Cd N2 O8 S2 |
Calculated formula | C10 H12 Cd N2 O8 S2 |
SMILES | [Cd]1([OH2])([OH2])(OS(=O)(=O)c2c[n](ccc2)[Cd]([OH2])(OS(=O)(=O)c2c[n]1ccc2)[OH2])(OS(=O)(=O)c1cnccc1)[n]1cc(S(=O)(=O)[O-])ccc1 |
Title of publication | <i>catena</i>-Poly[[diaquacadmium(II)]bis(μ-pyridine-3-sulfonato)-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>] |
Authors of publication | Qiu, Zhi-Hui; Liang, Fu-Pei; Ruan, Qing-Feng; Zhao, Shan-Rong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 4 |
Pages of publication | m588 |
a | 7.748 ± 0.0011 Å |
b | 13.264 ± 0.002 Å |
c | 7.3291 ± 0.0011 Å |
α | 90° |
β | 97.081 ± 0.002° |
γ | 90° |
Cell volume | 747.46 ± 0.19 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.024 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for significantly intense reflections | 0.052 |
Weighted residual factors for all reflections included in the refinement | 0.053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
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/2218019.html
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Users of the data should acknowledge the original authors of the
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