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Information card for entry 1548642
Preview
| Coordinates | 1548642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C124 H230 N20 Ni4 O61 |
|---|---|
| Calculated formula | C124 H156 N20 Ni4 O61 |
| Title of publication | Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units |
| Authors of publication | Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu |
| Journal of publication | Scientific Reports |
| Year of publication | 2012 |
| Journal volume | 2 |
| Pages of publication | 668 |
| a | 30.0315 ± 0.0004 Å |
| b | 30.0315 ± 0.0004 Å |
| c | 8.8752 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8004.5 ± 0.2 Å3 |
| Cell temperature | 123.15 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1733 |
| Weighted residual factors for all reflections included in the refinement | 0.1744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205022 (current) | 2018-01-10 | cif/ Adding structures of 1548642 via cif-deposit CGI script. |
1548642.cif |
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Users of the data should acknowledge the original authors of the
structural data.