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Information card for entry 7112193
Preview
| Coordinates | 7112193.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H6 Fe N4 S2 |
|---|---|
| Calculated formula | C8 H6 Fe N4 S2 |
| Title of publication | Layered structures and nanosheets of pyrimidinethiolate coordination polymers |
| Authors of publication | P. J. Beldon; S. Tominaka; P. Singh; T. Saha Dasgupta; E. G. Bithell; A. K. Cheetham |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3955 |
| a | 7.90952 ± 0.00017 Å |
| b | 16.0335 ± 0.0004 Å |
| c | 15.9946 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2028.39 ± 0.08 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.