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Information card for entry 2224503
Preview
Coordinates | 2224503.cif |
---|---|
Structure factors | 2224503.hkl |
Original IUCr paper | HTML |
Chemical name | Hexaaquacobalt(II) tetraaquabis(2-aminopyrazine-κ<i>N</i>^4^)cobalt(II) disulfate dihydrate |
---|---|
Formula | C8 H34 Co2 N6 O20 S2 |
Calculated formula | C8 H34 Co2 N6 O20 S2 |
SMILES | O=S(=O)([O-])[O-].[Co]([n]1cc(ncc1)N)([n]1cc(ncc1)N)([OH2])([OH2])([OH2])[OH2].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.[O-]S(=O)(=O)[O-].O |
Title of publication | Hexaaquacobalt(II) tetraaquabis(2-aminopyrazine-κ<i>N</i>^4^)cobalt(II) disulfate dihydrate |
Authors of publication | Kang, Wei; Huo, Li-Hua; Gao, Shan; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 12 |
Pages of publication | m1503 |
a | 6.5722 ± 0.0003 Å |
b | 8.3264 ± 0.0004 Å |
c | 13.2337 ± 0.0007 Å |
α | 75.732 ± 0.002° |
β | 78.571 ± 0.001° |
γ | 78.795 ± 0.001° |
Cell volume | 679.81 ± 0.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.034 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0833 |
Weighted residual factors for all reflections included in the refinement | 0.0849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/2224503.html
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