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Information card for entry 7237831
Preview
Coordinates | 7237831.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H13 N3 O6 Zn |
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Calculated formula | C16 H13 N3 O6 Zn |
Title of publication | Impressive second harmonic generation response in a novel phase-matchable NLO-active MOF derived from achiral precursors |
Authors of publication | Zhang, Yu-Xiao; Li, Bing-Xuan; Lin, Hua; Ma, Zuju; Wu, Xin-Tao; Zhu, Qi-Long |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2019 |
Journal volume | 7 |
Journal issue | 21 |
Pages of publication | 6217 |
a | 4.9797 ± 0.0004 Å |
b | 11.2729 ± 0.0011 Å |
c | 27.335 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1534.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0599 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0668 |
Weighted residual factors for all reflections included in the refinement | 0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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238649 (current) | 2019-11-24 | cif/ Adding structures of 7237831 via cif-deposit CGI script. |
7237831.cif |
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