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Information card for entry 7237085
Preview
| Coordinates | 7237085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H82 I2 N6 Se4 |
|---|---|
| Calculated formula | C46 H82 I2 N6 Se4 |
| Title of publication | Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity |
| Authors of publication | Kumar, Vijith; Leroy, César; Bryce, David L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 41 |
| Pages of publication | 6406 |
| a | 12.145 ± 0.004 Å |
| b | 8.651 ± 0.002 Å |
| c | 26.55 ± 0.008 Å |
| α | 90° |
| β | 96.341 ± 0.007° |
| γ | 90° |
| Cell volume | 2772.4 ± 1.4 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0554 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236811 (current) | 2019-11-24 | cif/ Adding structures of 7237083, 7237084, 7237085, 7237086 via cif-deposit CGI script. |
7237085.cif |
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Users of the data should acknowledge the original authors of the
structural data.