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Information card for entry 4003866
Preview
| Coordinates | 4003866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Hf-TCBPA-MOF |
|---|---|
| Formula | C81 H56 Hf6 N2 O36 |
| Calculated formula | C81 H56 Hf6 N2 O36 |
| Title of publication | Metal‒Organic Layers with an Enhanced Two-Photon Absorption Cross-Section and Up-Converted Emission |
| Authors of publication | Hu, Xuefu; Wang, Zhiye; Su, Yuming; Chen, Peican; Jiang, Yibin; Zhang, Cankun; Wang, Cheng |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 43.827 ± 0.0011 Å |
| b | 21.4937 ± 0.0006 Å |
| c | 24.7957 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 23357.7 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 42 |
| Hermann-Mauguin space group symbol | F m m 2 |
| Hall space group symbol | F 2 -2 |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261980 (current) | 2021-02-16 | cif/ Adding structures of 4003866 via cif-deposit CGI script. |
4003866.cif |
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