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Information card for entry 2208406
Preview
Coordinates | 2208406.cif |
---|---|
Structure factors | 2208406.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(tetraethylammonium) bis[N-(2-mercaptobenzoyl)-1,3-benzothiazole-2-carboxamidato]cobaltate(III) chloride |
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Formula | C46 H56 Cl Co N6 O4 S4 |
Calculated formula | C46 H56 Cl Co N6 O4 S4 |
SMILES | [Co]1234(Sc5ccccc5C(=O)N1C(=O)c1sc5c([n]21)cccc5)Sc1ccccc1C(=O)N3C(=O)c1sc2c([n]41)cccc2.[Cl-].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC |
Title of publication | Bis(tetraethylammonium) bis[<i>N</i>-(2-mercaptobenzoyl)-1,3-benzothiazole-2-carboxamidato]cobaltate(III) chloride |
Authors of publication | Frome, Michelle J.; Cooper, Lisa E.; Lewis, Breia J.; Ferguson, Michael J.; Daley, Christopher J. A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 3 |
Pages of publication | m555 - m557 |
a | 19.807 ± 0.003 Å |
b | 17.423 ± 0.002 Å |
c | 13.4721 ± 0.0018 Å |
α | 90° |
β | 92.435 ± 0.002° |
γ | 90° |
Cell volume | 4645 ± 1.1 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0906 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1044 |
Weighted residual factors for all reflections included in the refinement | 0.1281 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
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/2208406.html
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