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Information card for entry 7708408
Preview
| Coordinates | 7708408.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H66 B Cl2 Cu2 F4 N6 O3 S3 |
|---|---|
| Calculated formula | C41 H66 B Cl2 Cu2 F4 N6 O3 S3 |
| 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 | 18.53744 ± 0.00019 Å |
| b | 17.36252 ± 0.00016 Å |
| c | 30.7787 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9906.33 ± 0.19 Å3 |
| Cell temperature | 99.95 ± 0.1 K |
| Ambient diffraction temperature | 99.95 ± 0.1 K |
| Number of distinct elements | 9 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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. |
7708408.cif |
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