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Information card for entry 2022127
Preview
| Coordinates | 2022127.cif |
|---|---|
| Structure factors | 2022127.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4',4''-(4,4,8,8,12,12-Hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]\ quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6,10-triyl)tribenzoic acid methanol 1.25-solvate |
|---|---|
| Formula | C49.25 H44 N O7.25 |
| Calculated formula | C49.25 H44 N O7.25 |
| Title of publication | Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand |
| Authors of publication | Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| a | 9.738 ± 0.0009 Å |
| b | 9.9295 ± 0.0011 Å |
| c | 10.803 ± 0.001 Å |
| α | 75.924 ± 0.009° |
| β | 79.438 ± 0.008° |
| γ | 86.77 ± 0.008° |
| Cell volume | 995.97 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252311 (current) | 2020-05-23 | cif/ hkl/ Adding structures of 2022127, 2022128, 2022129 via cif-deposit CGI script. |
2022127.cif 2022127.hkl |
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Users of the data should acknowledge the original authors of the
structural data.