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Information card for entry 1551418
Preview
| Coordinates | 1551418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 |
|---|---|
| Calculated formula | C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 |
| 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 | 59.465 ± 0.005 Å |
| b | 16.8956 ± 0.0015 Å |
| c | 62.436 ± 0.005 Å |
| α | 90° |
| β | 116.189 ± 0.003° |
| γ | 90° |
| Cell volume | 56290 ± 8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1586 |
| Residual factor for significantly intense reflections | 0.1243 |
| Weighted residual factors for significantly intense reflections | 0.3352 |
| Weighted residual factors for all reflections included in the refinement | 0.3586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.392 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215956 (current) | 2019-06-14 | cif/ Adding structures of 1551418 via cif-deposit CGI script. |
1551418.cif |
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