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Information card for entry 7123247
Preview
| Coordinates | 7123247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H42 N8 O6 |
|---|---|
| Calculated formula | C46 H42 N8 O6 |
| Title of publication | Morphology-dependent third-order optical nonlinearity of a 2D Co-based metal−organic framework with a porphyrinic skeleton |
| Authors of publication | Niu, Ru-Jie; Zhou , Wen-Fa; LIU, Yan; Yang, Junyi; Zhang, Wen-Hua; Lang, Jian-Ping; Young, david James |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 12.6245 ± 0.0012 Å |
| b | 8.6062 ± 0.0009 Å |
| c | 18.1703 ± 0.0016 Å |
| α | 90° |
| β | 97.732 ± 0.003° |
| γ | 90° |
| Cell volume | 1956.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1706 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214451 (current) | 2019-04-03 | cif/ Adding structures of 7123247, 7123248 via cif-deposit CGI script. |
7123247.cif |
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Users of the data should acknowledge the original authors of the
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