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Information card for entry 2022302
Preview
| Coordinates | 2022302.cif |
|---|---|
| Structure factors | 2022302.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-{2-[(Pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine |
|---|---|
| Formula | C12 H10 N6 |
| Calculated formula | C12 H10 N6 |
| Title of publication | Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand |
| Authors of publication | Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 1 |
| Pages of publication | 29 - 39 |
| a | 13.7529 ± 0.0008 Å |
| b | 6.6451 ± 0.0004 Å |
| c | 12.2086 ± 0.0009 Å |
| α | 90° |
| β | 93.634 ± 0.006° |
| γ | 90° |
| Cell volume | 1113.49 ± 0.12 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 3 |
| 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260342 (current) | 2021-01-01 | cif/ hkl/ Adding structures of 2022302, 2022303, 2022304, 2022305, 2022306 via cif-deposit CGI script. |
2022302.cif 2022302.hkl |
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Users of the data should acknowledge the original authors of the
structural data.