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Information card for entry 2214528
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| Coordinates | 2214528.cif |
|---|---|
| Structure factors | 2214528.hkl |
| Original IUCr paper | HTML |
| Chemical name | Benzimidazolium perchlorate |
|---|---|
| Formula | C7 H7 Cl N2 O4 |
| Calculated formula | C7 H7 Cl N2 O4 |
| SMILES | [nH]1c[nH+]c2ccccc12.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Benzimidazolium perchlorate |
| Authors of publication | Sieroń, Lesław |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 8 |
| Pages of publication | o3585 - o3585 |
| a | 9.9885 ± 0.0002 Å |
| b | 9.0509 ± 0.0001 Å |
| c | 19.0182 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1719.34 ± 0.05 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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