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Information card for entry 1574008
Preview
Coordinates | 1574008.cif |
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Original paper (by DOI) | HTML |
Chemical name | Aminopyrazine Borate |
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Formula | C4 H11 B2 N3 O6 |
Calculated formula | C4 H11 B2 N3 O6 |
Title of publication | Optimizing optical anisotropy in low-dimensional structures <i>via</i> intralayer hydrogen bonding modulation and anionic substitution. |
Authors of publication | Arif, Muhammad; Liu, Xu; Jia, Hangwei; Yang, Zhihua; Hou, Xueling; Pan, Shilie |
Journal of publication | Materials horizons |
Year of publication | 2025 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 3538 - 3545 |
a | 10.2656 ± 0.0014 Å |
b | 3.7235 ± 0.0005 Å |
c | 13.2934 ± 0.0019 Å |
α | 90° |
β | 107.188 ± 0.005° |
γ | 90° |
Cell volume | 485.43 ± 0.12 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.0554 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1026 |
Weighted residual factors for all reflections included in the refinement | 0.1061 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
301189 (current) | 2025-07-06 | cif/ Updating files of 1574003, 1574004, 1574005, 1574006, 1574007, 1574008, 1574009 Original log message: Adding full bibliography for 1574003--1574009.cif. |
1574008.cif |
297903 | 2025-02-27 | cif/ Adding structures of 1574003, 1574004, 1574005, 1574006, 1574007, 1574008, 1574009 via cif-deposit CGI script. |
1574008.cif |
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Users of the data should acknowledge the original authors of the
structural data.