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Information card for entry 2312317
Preview
| Coordinates | 2312317.cif |
|---|---|
| Structure factors | 2312317.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | TPPM_BnOH |
|---|---|
| Formula | C48.5 H35.5 N4 O0.5 |
| Calculated formula | C48.5 H35.5 N4 O0.5 |
| Title of publication | 3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetrakis-4-(4-pyridyl)phenylmethane. |
| Authors of publication | Marchetti, Danilo; Pedrini, Alessandro; Massera, Chiara; Diame, Moussa Faye; Jandl, Christian; Steinfeld, Gunther; Gemmi, Mauro |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 6 |
| Pages of publication | 432 - 436 |
| a | 27.946 ± 0.007 Å |
| b | 7.0236 ± 0.0005 Å |
| c | 21.61 ± 0.003 Å |
| α | 90° |
| β | 119.031 ± 0.014° |
| γ | 90° |
| Cell volume | 3708.7 ± 1.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2031 |
| Residual factor for significantly intense reflections | 0.1442 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| Goodness-of-fit parameter for significantly intense reflections | 0 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.9081 |
| Diffraction radiation probe | electron |
| Diffraction radiation wavelength | 0.0285 Å |
| Diffraction radiation type | electron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288124 (current) | 2023-12-07 | cif/ Updating files of 2312317 Original log message: Adding full bibliography for 2312317.cif. |
2312317.cif 2312317.hkl |
| 286956 | 2023-10-13 | cif/ hkl/ Adding structures of 2312317 via cif-deposit CGI script. |
2312317.cif 2312317.hkl |
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Users of the data should acknowledge the original authors of the
structural data.