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Information card for entry 1568795
Preview
| Coordinates | 1568795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C504 H442 Br18 N72 Ni52 O264 |
|---|---|
| Calculated formula | C504 H442 Br18 N72 Ni52 O264 |
| Title of publication | Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks. |
| Authors of publication | Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong |
| Journal of publication | IUCrJ |
| Year of publication | 2023 |
| Journal volume | 10 |
| Journal issue | 3 |
| a | 58.069 ± 0.007 Å |
| b | 58.069 ± 0.007 Å |
| c | 58.069 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 195809 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 203 |
| Hermann-Mauguin space group symbol | F d -3 :2 |
| Hall space group symbol | -F 2uv 2vw 3 |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282412 (current) | 2023-04-05 | cif/ Adding structures of 1568793, 1568794, 1568795, 1568796 via cif-deposit CGI script. |
1568795.cif |
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Users of the data should acknowledge the original authors of the
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