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Information card for entry 4134476
Preview
| Coordinates | 4134476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | F H8 N2 O3 P |
|---|---|
| Calculated formula | F H8 N2 O3 P |
| SMILES | P(=O)([O-])(F)[O-].[NH4+].[NH4+] |
| Title of publication | Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>. |
| Authors of publication | Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 13 |
| Pages of publication | 6423 - 6431 |
| a | 6.0577 ± 0.0004 Å |
| b | 7.8714 ± 0.0005 Å |
| c | 11.2223 ± 0.0007 Å |
| α | 90° |
| β | 92.255 ± 0.002° |
| γ | 90° |
| Cell volume | 534.69 ± 0.06 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 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 | 0.1077 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.207 |
| Weighted residual factors for all reflections included in the refinement | 0.212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.289 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255805 (current) | 2020-09-02 | cif/4 Fixing Z values and formulae |
4134476.cif |
| 250063 | 2020-04-04 | cif/ Updating files of 4134470, 4134471, 4134472, 4134473, 4134474, 4134475, 4134476, 4134477, 4134478, 4134479, 4134480, 4134481, 4134482, 4134483, 4134484, 4134485, 4134486, 4134487, 4134488, 4134489, 4134490, 4134491, 4134492, 4134493, 4134494, 4134495, 4134496, 4134497, 4134498, 4134499, 4134500, 4134501, 4134502, 4134503, 4134504, 4134505 Original log message: Adding full bibliography for 4134470--4134505.cif. |
4134476.cif |
| 249541 | 2020-03-20 | cif/ Adding structures of 4134470, 4134471, 4134472, 4134473, 4134474, 4134475, 4134476 via cif-deposit CGI script. |
4134476.cif |
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Users of the data should acknowledge the original authors of the
structural data.