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Information card for entry 2242392
Preview
| Coordinates | 2242392.cif |
|---|---|
| Structure factors | 2242392.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aquatetrakis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) dinitrate |
|---|---|
| Formula | C24 H42 Cu N10 O7 |
| Calculated formula | C24 H42 Cu N10 O7 |
| Title of publication | Two Cu^II^ complexes of 3,4,5-trimethyl-1<i>H</i>-pyrazole |
| Authors of publication | Vincent, Collin J.; Giles, Ian D.; Deschamps, Jeffrey R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 357 - 362 |
| a | 20.107 ± 0.007 Å |
| b | 7.8939 ± 0.0016 Å |
| c | 20.472 ± 0.004 Å |
| α | 90° |
| β | 102.651 ± 0.002° |
| γ | 90° |
| Cell volume | 3170.5 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206531 (current) | 2018-02-21 | cif/ hkl/ Adding structures of 2242391, 2242392 via cif-deposit CGI script. |
2242392.cif 2242392.hkl |
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