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Information card for entry 7237283
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Coordinates | 7237283.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H18 N4 O7 |
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Calculated formula | C13 H18 N4 O7 |
Title of publication | Switchable behaviors of quadratic nonlinear optical properties originating from bi-step phase transitions in a molecule-based crystal |
Authors of publication | Tao, Kewen; Wu, Zhenyue; Han, Shiguo; Zhang, Jing; Ji, Chengmin; Wang, Yuyin; Zhang, Weichuan; Luo, Junhua; Sun, Zhihua |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2018 |
Journal volume | 6 |
Journal issue | 15 |
Pages of publication | 4150 |
a | 18.2587 ± 0.0003 Å |
b | 6.7913 ± 0.0002 Å |
c | 12.8788 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1596.98 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0728 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.1029 |
Weighted residual factors for all reflections included in the refinement | 0.1076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7237283.html
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structural data.