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Information card for entry 4519479
Preview
Coordinates | 4519479.cif |
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Structure factors | 4519479.hkl |
Original paper (by DOI) | HTML |
Chemical name | benzene-1,2,4,5-tetrakis(ammonium) bis(hydrogen sulfate) sulfate |
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Formula | C6 H16 N4 O12 S3 |
Calculated formula | C6 H16 N4 O12 S3 |
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 | 9.3639 ± 0.0003 Å |
b | 8.0701 ± 0.0002 Å |
c | 10.3114 ± 0.0003 Å |
α | 90° |
β | 90.497 ± 0.001° |
γ | 90° |
Cell volume | 779.18 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0971 |
Weighted residual factors for all reflections included in the refinement | 0.0972 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
288090 (current) | 2023-12-06 | cif/ hkl/ Adding structures of 4519479 via cif-deposit CGI script. |
4519479.cif 4519479.hkl |
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