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Information card for entry 2212363
Preview
Coordinates | 2212363.cif |
---|---|
Structure factors | 2212363.hkl |
Original IUCr paper | HTML |
Chemical name | Diaqua(pyridine-2,4,6-tricarboxylato-κ^3^N,O^2^,O^6^)[4-(4- pyridyl)pyridinium-κN^1^]cobalt(II) dihydrate |
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Formula | C18 H19 Co N3 O10 |
Calculated formula | C18 H19 Co N3 O10 |
SMILES | [Co]12([OH2])([OH2])(OC(=O)c3[n]2c(cc(c3)C(=O)[O-])C(=O)O1)[n]1ccc(cc1)c1cc[nH+]cc1.O.O |
Title of publication | Diaqua(pyridine-2,4,6-tricarboxylato-κ^3^<i>N</i>,<i>O</i>^2^,<i>O</i>^6^)[4-(4-pyridyl)pyridinium-κ<i>N</i>^1^]cobalt(II) dihydrate |
Authors of publication | Xie, Cheng-Zhi; Qin, Jian-Hua; Wang, Jian-Ge; Li, Chang-Bin; Li, Yong-Feng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 2 |
Pages of publication | m498 - m500 |
a | 8.6711 ± 0.0009 Å |
b | 10.7727 ± 0.0012 Å |
c | 11.5702 ± 0.0013 Å |
α | 95.804 ± 0.001° |
β | 96.604 ± 0.001° |
γ | 110.547 ± 0.001° |
Cell volume | 993.62 ± 0.19 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0329 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0731 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/2212363.html
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