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Information card for entry 1544193
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| Coordinates | 1544193.cif |
|---|---|
| Structure factors | 1544193.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Histamine perchlorate |
|---|---|
| Chemical name | 4-(2-Azaniumylethyl)-1<i>H</i>-imidazol-3-ium bis(perchlorate) |
| Formula | C5 H11 Cl2 N3 O8 |
| Calculated formula | C5 H11 Cl2 N3 O8 |
| Title of publication | Histamine perchlorate |
| Authors of publication | Okeke, Ugochukwu; Gultneh, Yilma; Jasinski, Jerry P.; Butcher, Ray J. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 9 |
| Pages of publication | x161481 |
| a | 11.3333 ± 0.0006 Å |
| b | 16.4178 ± 0.0009 Å |
| c | 12.765 ± 0.0006 Å |
| α | 90° |
| β | 94.14 ± 0.005° |
| γ | 90° |
| Cell volume | 2369 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0999 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1831 |
| Weighted residual factors for all reflections included in the refinement | 0.2185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544193.cif 1544193.hkl |
| 186757 | 2016-09-24 | cif/ hkl/ Adding structures of 1544193 via cif-deposit CGI script. |
1544193.cif 1544193.hkl |
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Users of the data should acknowledge the original authors of the
structural data.