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Information card for entry 1519303
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| Coordinates | 1519303.cif |
|---|
| Formula | C6 H11 Cl0.5 N1.5 |
|---|---|
| Calculated formula | C6 H11.5 Cl0.5 N1.5 |
| Title of publication | Pyrrole hemikis(tetramethylammonium chloride) |
| Authors of publication | Hursthouse, Michael B.; Gale, Phil A.; Coles, Simon J. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2001 |
| Pages of publication | 122 |
| a | 15.094 ± 0.002 Å |
| b | 9.007 ± 0.0012 Å |
| c | 10.3253 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1403.7 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1393 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1519303.cif |
| 135653 | 2015-05-06 | cif/ Adding structures of 1519303 via cif-deposit CGI script. |
1519303.cif |
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Users of the data should acknowledge the original authors of the
structural data.