Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2221408
Preview
Coordinates | 2221408.cif |
---|---|
Structure factors | 2221408.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[octa-μ-aqua-tetraaquabis(μ-5-sulfonatobenzene-1,3- dicarboxylato)cobalt(II)tetrasodium] |
---|---|
Formula | C16 H30 Co Na4 O26 S2 |
Calculated formula | C16 H30 Co Na4 O26 S2 |
SMILES | S(=O)(=O)(c1cc(C(O[Co]([OH2])([OH2])(OC(=O)c2cc(S(=O)(=O)[O-])cc(c2)C(=O)[O-])([OH2])[OH2])=O)cc(c1)C(=O)[O-])[O-].[Na+].[Na+].O.O.O.O.[Na+].[Na+].O.O.O.O |
Title of publication | Poly[octa-μ-aqua-tetraaquabis(μ-5-sulfonatobenzene-1,3-dicarboxylato)cobalt(II)tetrasodium] |
Authors of publication | Zhang, Bing-Yu; Nie, Jing-Jing; Xu, Duan-Jun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 4 |
Pages of publication | m387 - m388 |
a | 7.8756 ± 0.0012 Å |
b | 17.294 ± 0.003 Å |
c | 11.77 ± 0.0018 Å |
α | 90° |
β | 93.281 ± 0.005° |
γ | 90° |
Cell volume | 1600.5 ± 0.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0267 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for significantly intense reflections | 0.0646 |
Weighted residual factors for all reflections included in the refinement | 0.0657 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/2221408.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.