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Information card for entry 7712650
Preview
| Coordinates | 7712650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H48 N6 O13 Zn3 |
|---|---|
| Calculated formula | C64 H48 N6 O13 Zn3 |
| Title of publication | Porphyrin Metal-Organic Frameworks with Bilayer and Pillar-layered Frameworks for Third-order Nonlinear Optical Properties |
| Authors of publication | Zhu, Zi-Yi; Wang, Zirui; Li, Qiao-Hong; Ma, Zhi-Zhou; Wang, Fei; Zhang, Jian |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 16.6123 ± 0.0005 Å |
| b | 16.6936 ± 0.0006 Å |
| c | 16.7212 ± 0.0006 Å |
| α | 118.127 ± 0.004° |
| β | 90.188 ± 0.003° |
| γ | 108.145 ± 0.003° |
| Cell volume | 3823.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1514 |
| Weighted residual factors for all reflections included in the refinement | 0.1595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.799 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281938 (current) | 2023-03-18 | cif/ Adding structures of 7712650, 7712651 via cif-deposit CGI script. |
7712650.cif |
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Users of the data should acknowledge the original authors of the
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