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Information card for entry 2242348
Preview
| Coordinates | 2242348.cif |
|---|---|
| Structure factors | 2242348.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc] dimethylformamide monosolvate] |
|---|---|
| Formula | C21 H27 N7 O5 Zn |
| Calculated formula | C21 H27 N7 O5 Zn |
| Title of publication | Crystal structure of a Zn complex with terephthalate and 1,6-bis(1,2,4-triazol-1-yl)hexane |
| Authors of publication | Sukhikh, Taisiya S.; Semitut, Evgeny Yu.; Potapov, Andrei S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 6 - 9 |
| a | 9.7803 ± 0.0006 Å |
| b | 10.4481 ± 0.0005 Å |
| c | 13.3708 ± 0.0008 Å |
| α | 101.438 ± 0.002° |
| β | 101.015 ± 0.002° |
| γ | 109.073 ± 0.002° |
| Cell volume | 1216.41 ± 0.12 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0805 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205728 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 2242348 via cif-deposit CGI script. |
2242348.cif 2242348.hkl |
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Users of the data should acknowledge the original authors of the
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