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Information card for entry 7241820
Preview
| Coordinates | 7241820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H81 Mg N2 O41.5 |
|---|---|
| Calculated formula | C66 H58 Mg N2 O41.5 |
| Title of publication | Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives |
| Authors of publication | Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 5 |
| Pages of publication | 1075 - 1082 |
| a | 35.528 ± 0.0003 Å |
| b | 12.9487 ± 0.0001 Å |
| c | 33.1933 ± 0.0003 Å |
| α | 90° |
| β | 105.019 ± 0.001° |
| γ | 90° |
| Cell volume | 14748.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1045 |
| Residual factor for significantly intense reflections | 0.0994 |
| Weighted residual factors for significantly intense reflections | 0.2833 |
| Weighted residual factors for all reflections included in the refinement | 0.289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262569 (current) | 2021-03-05 | cif/ Updating files of 7241819, 7241820, 7241821, 7241822 Original log message: Adding full bibliography for 7241819--7241822.cif. |
7241820.cif |
| 259858 | 2020-12-13 | cif/ Adding structures of 7241819, 7241820, 7241821, 7241822 via cif-deposit CGI script. |
7241820.cif |
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Users of the data should acknowledge the original authors of the
structural data.