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Information card for entry 2220714
Preview
Coordinates | 2220714.cif |
---|---|
Structure factors | 2220714.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[diaqua(4,4'-trimethylenedipyridine-κ<i>N</i>)cobalt(II)]- μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^] |
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Formula | C34 H36 Co N4 O6 |
Calculated formula | C34 H36 Co N4 O6 |
SMILES | [Co]([OH2])([OH2])([n]1ccc(CCCc2ccncc2)cc1)([n]1ccc(cc1)CCCc1ccncc1)OC(=O)c1ccc(cc1)C(=O)O[Co](OC(=O)c1ccc(C(=O)[O-])cc1)([OH2])([OH2])([n]1ccc(cc1)CCCc1ccncc1)[n]1ccc(cc1)CCCc1ccncc1 |
Title of publication | <i>catena</i>-Poly[[diaqua(4,4'-trimethylenedipyridine-κ<i>N</i>)cobalt(II)]-μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^] |
Authors of publication | Qi, Xu-Liang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 2 |
Pages of publication | m135 |
a | 11.232 ± 0.002 Å |
b | 9.3784 ± 0.0019 Å |
c | 15.182 ± 0.003 Å |
α | 90° |
β | 96.19 ± 0.03° |
γ | 90° |
Cell volume | 1589.9 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0896 |
Residual factor for significantly intense reflections | 0.0703 |
Weighted residual factors for significantly intense reflections | 0.166 |
Weighted residual factors for all reflections included in the refinement | 0.1791 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
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/2220714.html
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