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Information card for entry 2206114
Preview
Coordinates | 2206114.cif |
---|---|
Structure factors | 2206114.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[[[diaquabis(pyridine-4-carboxamide-κN^1^)cobalt(II)]-μ~2~- squarato-κO:O'] dihydrate] |
---|---|
Formula | C16 H20 Co N4 O10 |
Calculated formula | C16 H20 Co N4 O10 |
SMILES | [Co]([n]1ccc(cc1)C(=O)N)([OH2])([OH2])([n]1ccc(cc1)C(=O)N)OC1=C([O-])C(=O)C1=[O][Co]([n]1ccc(cc1)C(=O)N)([n]1ccc(cc1)C(=O)N)([OH2])([OH2])OC1=C([O-])C(=O)C1=O.O.O.O.O |
Title of publication | Poly[[[diaquabis(pyridine-4-carboxamide-κ<i>N</i>^1^)cobalt(II)]-μ~2~-squarato-κ<i>O</i>:<i>O</i>'] dihydrate] |
Authors of publication | Uçar, İbrahim; Bulut, Ahmet |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 7 |
Pages of publication | m1320 - m1323 |
a | 8.1578 ± 0.0008 Å |
b | 10.8246 ± 0.0012 Å |
c | 12.1665 ± 0.0011 Å |
α | 75.445 ± 0.008° |
β | 89.69 ± 0.008° |
γ | 74.082 ± 0.008° |
Cell volume | 997.68 ± 0.18 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 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 | 0.084 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.148 |
Weighted residual factors for all reflections included in the refinement | 0.164 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/2206114.html
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Users of the data should acknowledge the original authors of the
structural data.