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Information card for entry 2217663
Preview
Coordinates | 2217663.cif |
---|---|
Structure factors | 2217663.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[triaquacadmium(II)]-μ-pyridine-2,3-dicarboxylato- κ^3^N,O^2^:O^3^] |
---|---|
Formula | C7 H9 Cd N O7 |
Calculated formula | C7 H9 Cd N O7 |
SMILES | [Cd]1(OC(=O)c2c(C(=O)[O-])nccc2)([OH2])([OH2])([OH2])OC(=O)c2c(ccc[n]12)C(=O)O[Cd]([OH2])([OH2])[OH2] |
Title of publication | <i>catena</i>-Poly[[triaquacadmium(II)]-μ-pyridine-2,3-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^] |
Authors of publication | Aghabozorg, Hossein; Motyeian, Elham; Khadivi, Ramona; Ghadermazi, Mohammad; Manteghi, Faranak |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 2 |
Pages of publication | m320 - m321 |
a | 16.82 ± 0.003 Å |
b | 6.8076 ± 0.0014 Å |
c | 8.6658 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 992.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0429 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0524 |
Weighted residual factors for all reflections included in the refinement | 0.0561 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/2217663.html
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