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Information card for entry 2014701
Preview
Coordinates | 2014701.cif |
---|---|
Structure factors | 2014701.hkl |
Original IUCr paper | HTML |
Chemical name | μ-1,2-Bis(4-pyridyl)ethene-κ^2^N:N'-bis(tetraaqua{4-[2-(4- pyridinio)ethenyl]pyridine-κN}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate |
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Formula | C36 H76 Co3 N6 O38 S4 |
Calculated formula | C36 H76 Co3 N6 O38 S4 |
SMILES | c1cc(cc[n]1[Co]([n]1ccc(cc1)/C=C/c1cc[nH+]cc1)([OH2])([OH2])([OH2])[OH2])/C=C/c1cc[n](cc1)[Co]([n]1ccc(cc1)/C=C/c1cc[nH+]cc1)([OH2])([OH2])([OH2])[OH2].O=S(=O)([O-])[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-].O.O.O.O.[O-]S(=O)(=O)[O-].S(=O)(=O)([O-])[O-].O.O.O.O |
Title of publication | μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'-bis(tetraaqua{4-[2-(4-pyridinio)ethenyl]pyridine-κ<i>N</i>}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate |
Authors of publication | Xin-Hua Li; Hong-Ping Xiao; Sai-Zhen Yang |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 2 |
Pages of publication | m112 - m114 |
a | 10.2353 ± 0.0008 Å |
b | 12.1885 ± 0.0009 Å |
c | 24.9647 ± 0.0019 Å |
α | 90° |
β | 93.895 ± 0.002° |
γ | 90° |
Cell volume | 3107.2 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
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 | 0.083 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1377 |
Weighted residual factors for all reflections included in the refinement | 0.144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
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/2014701.html
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