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Information card for entry 7241711
Preview
| Coordinates | 7241711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H44 Br8 Fe3 N26 |
|---|---|
| Calculated formula | C58 H43 Br8 Fe3 N26 |
| Title of publication | The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines |
| Authors of publication | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 46 |
| Pages of publication | 8142 - 8150 |
| a | 19.931 ± 0.002 Å |
| b | 12.6943 ± 0.0014 Å |
| c | 30.341 ± 0.003 Å |
| α | 90° |
| β | 93.819 ± 0.008° |
| γ | 90° |
| Cell volume | 7659.5 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2114 |
| Residual factor for significantly intense reflections | 0.1075 |
| Weighted residual factors for significantly intense reflections | 0.2808 |
| Weighted residual factors for all reflections included in the refinement | 0.3679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259727 (current) | 2020-12-10 | cif/ Adding structures of 7241705, 7241706, 7241707, 7241708, 7241709, 7241710, 7241711 via cif-deposit CGI script. |
7241711.cif |
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Users of the data should acknowledge the original authors of the
structural data.