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Information card for entry 4335307
Preview
| Coordinates | 4335307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [bis(6-thioguanosine-k2N,S)(6-thioguanosinato-k2N,S)cobalt(III)] sulphate trihydrate |
|---|---|
| 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 | Correction to 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; Ross W. Harrington; William Clegg; Félix Zamora |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 7306 - 7306 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179456 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/53. |
4335307.cif |
| 171497 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing surrounding double qoutes ('"') from the _chemical_name_systematic tag values in multiple entries. |
4335307.cif |
| 101217 | 2014-02-10 | cif/ Adding structures of 4335307 via cif-deposit CGI script. |
4335307.cif |
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