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Information card for entry 2230140
Preview
Coordinates | 2230140.cif |
---|---|
Structure factors | 2230140.hkl |
Original IUCr paper | HTML |
Chemical name | <i>trans</i>-Tetraaquabis[1,3-bis(4-pyridyl)propane-κ<i>N</i>]cobalt(II) biphenyl-4,4'-disulfonate monohydrate |
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Formula | C38 H46 Co N4 O11 S2 |
Calculated formula | C38 H46 Co N4 O11 S2 |
SMILES | c1(ccc(cc1)c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Co]([OH2])([n]1ccc(cc1)CCCc1ccncc1)([n]1ccc(cc1)CCCc1ccncc1)([OH2])([OH2])[OH2].O |
Title of publication | <i>trans</i>-Tetraaquabis[1,3-bis(4-pyridyl)propane-κ<i>N</i>]cobalt(II) biphenyl-4,4'-disulfonate monohydrate |
Authors of publication | Liu, Guang-Xiang; Xu, Xu-Yong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | m651 - m652 |
a | 15.555 ± 0.003 Å |
b | 18.983 ± 0.003 Å |
c | 14.725 ± 0.003 Å |
α | 90° |
β | 113.959 ± 0.003° |
γ | 90° |
Cell volume | 3973.4 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0658 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1261 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/2230140.html
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