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Information card for entry 7711280
Preview
| Coordinates | 7711280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C380 H414 B15 Cl Co8 F60 N76 O43 |
|---|---|
| Calculated formula | C356 H288 B11 Cl Co8 F44 N76 O4 |
| 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 | 32.85293 ± 0.00012 Å |
| b | 30.18243 ± 0.0001 Å |
| c | 40.21139 ± 0.00014 Å |
| α | 90° |
| β | 95.6471 ± 0.0003° |
| γ | 90° |
| Cell volume | 39679.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0771 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.2003 |
| Weighted residual factors for all reflections included in the refinement | 0.2103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| 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. |
7711280.cif |
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Users of the data should acknowledge the original authors of the
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