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Information card for entry 1574382
Preview
Coordinates | 1574382.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H18 Br4 N4 Zn |
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Calculated formula | C12 H18 Br4 N4 Zn |
Title of publication | Tuning Covalent Bonding in Znic-Based Hybrid Halides towards Tunable Room-Temperature Phosphorescence |
Authors of publication | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin |
Journal of publication | Chemical Science |
Year of publication | 2025 |
a | 14.4961 ± 0.0006 Å |
b | 7.8886 ± 0.0004 Å |
c | 16.379 ± 0.0008 Å |
α | 90° |
β | 93.194 ± 0.002° |
γ | 90° |
Cell volume | 1870.09 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0324 |
Residual factor for significantly intense reflections | 0.0219 |
Weighted residual factors for significantly intense reflections | 0.0496 |
Weighted residual factors for all reflections included in the refinement | 0.0533 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
299256 (current) | 2025-04-11 | cif/ Adding structures of 1574378, 1574379, 1574380, 1574381, 1574382, 1574383, 1574384, 1574385, 1574386, 1574387, 1574388 via cif-deposit CGI script. |
1574382.cif |
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Users of the data should acknowledge the original authors of the
structural data.