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Information card for entry 7708409
Preview
| Coordinates | 7708409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H59 Cl4 N5 O18 S3 |
|---|---|
| Calculated formula | C36 H59 Cl4 N5 O18 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 | 10.3506 ± 0.0005 Å |
| b | 28.6229 ± 0.0014 Å |
| c | 17.3038 ± 0.0008 Å |
| α | 90° |
| β | 91.771 ± 0.004° |
| γ | 90° |
| Cell volume | 5124 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7708409.cif |
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Users of the data should acknowledge the original authors of the
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