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Information card for entry 4519477
Preview
Coordinates | 4519477.cif |
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Structure factors | 4519477.hkl |
Original paper (by DOI) | HTML |
Chemical name | 5-aminobenzene-1,2,4-triammonium hydrogen disulfate |
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Formula | C6 H14 N4 O8 S2 |
Calculated formula | C6 H14 N4 O8 S2 |
Title of publication | Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines |
Authors of publication | Johann O. E. Sosoe; Thierry Maris; James D. Wuest |
Journal of publication | Crystal Growth and Design |
Year of publication | 2023 |
Journal volume | 23 |
Pages of publication | 8865 - 8874 |
a | 7.448 ± 0.0005 Å |
b | 9.8087 ± 0.0007 Å |
c | 17.1698 ± 0.0011 Å |
α | 83.536 ± 0.004° |
β | 81.86 ± 0.004° |
γ | 81.853 ± 0.004° |
Cell volume | 1223.68 ± 0.14 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0847 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.158 |
Weighted residual factors for all reflections included in the refinement | 0.177 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
288088 (current) | 2023-12-06 | cif/ hkl/ Adding structures of 4519477 via cif-deposit CGI script. |
4519477.cif 4519477.hkl |
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Users of the data should acknowledge the original authors of the
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