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Information card for entry 7126925
Preview
| Coordinates | 7126925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H42 Cl6 Cu2 F6 N6 O8 S3 |
|---|---|
| Calculated formula | C38 H42 Cl6 Cu2 F6 N6 O8 S3 |
| Title of publication | Controlled O<sub>2</sub> reduction at a mixed-valent (II,I) Cu<sub>2</sub>S core. |
| Authors of publication | Mangue, Jordan; Gondre, Clément; Pécaut, Jacques; Duboc, Carole; Ménage, Stéphane; Torelli, Stéphane |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 67 |
| Pages of publication | 9636 - 9639 |
| a | 12.9903 ± 0.0004 Å |
| b | 14.2793 ± 0.0005 Å |
| c | 15.5742 ± 0.0006 Å |
| α | 74.072 ± 0.003° |
| β | 66.275 ± 0.003° |
| γ | 86.862 ± 0.003° |
| Cell volume | 2538.12 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7126925.cif |
| 256031 | 2020-09-06 | cif/ Updating files of 7126925 Original log message: Adding full bibliography for 7126925.cif. |
7126925.cif |
| 254361 | 2020-07-17 | cif/ Adding structures of 7126925 via cif-deposit CGI script. |
7126925.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.