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Information card for entry 7708410
Preview
| Coordinates | 7708410.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H122 Cl7 Cu2 N10 O4 S6 |
|---|---|
| Calculated formula | C76 H122 Cl7 Cu2 N10 O4 S6 |
| Title of publication | An Asymmetric Cryptand for the Site-Specific Coordination of 3d Metals in Multiple Oxidation States |
| Authors of publication | Jökel, Julia; Nyßen, Frauke; Siegmund, Daniel; Apfel, Ulf-Peter |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 12.4346 ± 0.0004 Å |
| b | 13.9327 ± 0.0004 Å |
| c | 15.5273 ± 0.0006 Å |
| α | 66.345 ± 0.003° |
| β | 81.345 ± 0.003° |
| γ | 69.195 ± 0.003° |
| Cell volume | 2303.27 ± 0.15 Å3 |
| Cell temperature | 99.9 ± 0.2 K |
| Ambient diffraction temperature | 99.9 ± 0.2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.232 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269299 (current) | 2021-09-25 | cif/ Adding structures of 7708408, 7708409, 7708410, 7708411 via cif-deposit CGI script. |
7708410.cif |
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Users of the data should acknowledge the original authors of the
structural data.