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Information card for entry 1567194
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Coordinates | 1567194.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H10 N6 S Zn |
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Calculated formula | C14 H10 N6 S Zn |
Title of publication | Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. |
Authors of publication | Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing |
Journal of publication | Chemical science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 27 |
Pages of publication | 8036 - 8044 |
a | 7.0203 ± 0.0002 Å |
b | 10.3506 ± 0.0003 Å |
c | 24.2607 ± 0.0007 Å |
α | 90° |
β | 95.442 ± 0.001° |
γ | 90° |
Cell volume | 1754.94 ± 0.09 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.047 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1567194.html
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structural data.