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Information card for entry 1551415
Preview
| Coordinates | 1551415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C194 H146 Br8 Cl17 Fe6.5 N40 O21 |
|---|---|
| Calculated formula | C194 H144 Br8 Cl17 Fe6.5 N40 O21 |
| Title of publication | Two-stage directed self-assembly of a cyclic [3]catenane |
| Authors of publication | Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke |
| Journal of publication | Nature Chemistry |
| Year of publication | 2015 |
| Journal volume | 7 |
| Pages of publication | 354 - 358 |
| a | 16.0089 ± 0.0007 Å |
| b | 25.8622 ± 0.001 Å |
| c | 29.879 ± 0.0011 Å |
| α | 89.88 ± 0.002° |
| β | 89.852 ± 0.002° |
| γ | 72.396 ± 0.002° |
| Cell volume | 11791.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1088 |
| Residual factor for significantly intense reflections | 0.0751 |
| Weighted residual factors for significantly intense reflections | 0.2218 |
| Weighted residual factors for all reflections included in the refinement | 0.2426 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215953 (current) | 2019-06-14 | cif/ Adding structures of 1551415 via cif-deposit CGI script. |
1551415.cif |
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