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Information card for entry 7223995
Preview
| Coordinates | 7223995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H49 B Cu F4 N9 O14 |
|---|---|
| Calculated formula | C50 H49 B Cu F4 N9 O14 |
| Title of publication | Metal-templated synthesis of intertwined, functionalized strands as precursors to molecularly woven materials |
| Authors of publication | Wadhwa, Natasha R.; Hughes, Neil C.; Hachem, Jaafar A.; Mezei, Gellert |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 14.5499 ± 0.0002 Å |
| b | 18.864 ± 0.0002 Å |
| c | 19.3788 ± 0.0002 Å |
| α | 90° |
| β | 105.378 ± 0.001° |
| γ | 90° |
| Cell volume | 5128.46 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174843 (current) | 2016-01-23 | cif/ Adding structures of 7223992, 7223993, 7223994, 7223995 via cif-deposit CGI script. |
7223995.cif |
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Users of the data should acknowledge the original authors of the
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