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Information card for entry 7233305
Preview
| Coordinates | 7233305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 Cu N5 O6 |
|---|---|
| Calculated formula | C16 H11 Cu N5 O6 |
| Title of publication | Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands |
| Authors of publication | Weekes, Rohan J.; Hawes, Chris S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 34 |
| Pages of publication | 5152 |
| a | 7.8817 ± 0.0004 Å |
| b | 8.3565 ± 0.0004 Å |
| c | 13.6764 ± 0.0007 Å |
| α | 84.043 ± 0.002° |
| β | 89.244 ± 0.002° |
| γ | 63.942 ± 0.001° |
| Cell volume | 804.31 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0631 |
| Weighted residual factors for all reflections included in the refinement | 0.0666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223716 (current) | 2019-11-07 | cif/ Updating files of 7233301, 7233302, 7233303, 7233304, 7233305, 7233306 Original log message: Adding full bibliography for 7233301--7233306.cif. |
7233305.cif |
| 217358 | 2019-08-02 | cif/ Adding structures of 7233301, 7233302, 7233303, 7233304, 7233305, 7233306 via cif-deposit CGI script. |
7233305.cif |
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Users of the data should acknowledge the original authors of the
structural data.