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Information card for entry 7129621
Preview
| Coordinates | 7129621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H44 B12 I12 N6 Na2 O7 |
|---|---|
| Calculated formula | C18 H44 B12 I12 N6 Na2 O7 |
| Title of publication | Encapsulation of closo-dodecaiodododecaborate in 2-hydroxypropyl-γ-cyclodextrin prevents hemolysis |
| Authors of publication | Hollow, Sophia E.; Johnstone, Timothy C. |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 28.8693 ± 0.0006 Å |
| b | 22.9629 ± 0.0004 Å |
| c | 19.7457 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13089.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.13 K |
| Ambient diffraction temperature | 100 ± 0.13 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272253 (current) | 2022-01-27 | cif/ Adding structures of 7129621 via cif-deposit CGI script. |
7129621.cif |
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Users of the data should acknowledge the original authors of the
structural data.