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Information card for entry 7057315
Preview
| Coordinates | 7057315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H33 Cu F3 N5 O4 S |
|---|---|
| Calculated formula | C18 H33 Cu F3 N5 O4 S |
| Title of publication | Ligand and electronic effects on copper–arylnitroso self-assembly |
| Authors of publication | Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 10 |
| Pages of publication | 7758 |
| a | 9.6745 ± 0.0001 Å |
| b | 15.6108 ± 0.0001 Å |
| c | 16.0592 ± 0.0001 Å |
| α | 90° |
| β | 98.085 ± 0.001° |
| γ | 90° |
| Cell volume | 2401.26 ± 0.03 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0265 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0623 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7057315.cif |
| 230200 | 2019-11-17 | cif/ Updating files of 7057309, 7057310, 7057311, 7057312, 7057313, 7057314, 7057315, 7057316 Original log message: Adding full bibliography for 7057309--7057316.cif. |
7057315.cif |
| 207423 | 2018-04-20 | cif/ Adding structures of 7057309, 7057310, 7057311, 7057312, 7057313, 7057314, 7057315, 7057316 via cif-deposit CGI script. |
7057315.cif |
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Users of the data should acknowledge the original authors of the
structural data.