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Information card for entry 7211832
Preview
| Coordinates | 7211832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Co(II)(dipic)(H2O)(dmso)2 |
|---|---|
| Chemical name | Cobalt(II) dipicolinate water solvate dimethylsulfoxide bis-solvate |
| Formula | C11 H17 Co N O7 S2 |
| Calculated formula | C11 H17 Co N O7 S2 |
| SMILES | c12cccc3[n]2[Co](OC1=O)([O]=S(C)C)([OH2])(OC3=O)[O]=S(C)C |
| Title of publication | Transition metal dipicolinates as designer T-shaped building blocks |
| Authors of publication | Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 5 |
| Pages of publication | 1576 |
| a | 9.8087 ± 0.0014 Å |
| b | 11.592 ± 0.002 Å |
| c | 14.463 ± 0.002 Å |
| α | 90° |
| β | 103.865 ± 0.012° |
| γ | 90° |
| Cell volume | 1596.6 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0291 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for all reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Goodness-of-fit parameter for all reflections | 1.083 |
| Goodness-of-fit parameter for significantly intense reflections | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7211832.cif |
| 180449 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/18. |
7211832.cif |
| 92422 | 2014-01-12 | cif/ Adding structures of 7211832, 7211833, 7211834, 7211835, 7211836, 7211837, 7211838, 7211839 via cif-deposit CGI script. |
7211832.cif |
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Users of the data should acknowledge the original authors of the
structural data.