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Information card for entry 7711279
Preview
| Coordinates | 7711279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C371 H390 B16 Co8 F64 N73 O31 |
|---|---|
| Calculated formula | C343 H278 B15.7 Co8 F62.8 N73 O3 |
| Title of publication | Disentangling contributions to guest binding inside a coordination cage host: analysis of a set of isomeric guests with differing polarities |
| Authors of publication | Mozaceanu, Cristina; Solea, Atena B.; Taylor, Christopher; Sudittapong, Burin; Ward, Michael D. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 32.978 ± 0.0003 Å |
| b | 29.72814 ± 0.00019 Å |
| c | 39.5702 ± 0.0003 Å |
| α | 90° |
| β | 96.1393 ± 0.0007° |
| γ | 90° |
| Cell volume | 38571.1 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0979 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.2126 |
| Weighted residual factors for all reflections included in the refinement | 0.233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277970 (current) | 2022-09-19 | cif/ Adding structures of 7711278, 7711279, 7711280 via cif-deposit CGI script. |
7711279.cif |
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Users of the data should acknowledge the original authors of the
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