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Information card for entry 4334698
Preview
Coordinates | 4334698.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [bis(6-thioguanosine-k2N,S)(6-thioguanosinato-k2N,S)cobalt(III)] sulphate trihydrate |
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Formula | C30 H42 Co N15 O19 S4 |
Calculated formula | C30 Co N15 O12 S3 |
SMILES | c1(nc2c3c(n1)n(c[n]3[Co]13(S2)([n]2c4c(nc(nc4S1)N)n(c2)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)[n]1c2c(nc(nc2S3)N)n(c1)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)N |
Title of publication | Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers |
Authors of publication | Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 5290 - 5299 |
a | 19.225 ± 0.003 Å |
b | 19.225 ± 0.003 Å |
c | 6.618 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2118.3 ± 0.8 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 143 |
Hermann-Mauguin space group symbol | P 3 |
Hall space group symbol | P 3 |
Residual factor for all reflections | 0.2203 |
Residual factor for significantly intense reflections | 0.1769 |
Weighted residual factors for significantly intense reflections | 0.4291 |
Weighted residual factors for all reflections included in the refinement | 0.4687 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.711 |
Diffraction radiation wavelength | 0.702 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4334698.html
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