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Information card for entry 7247778
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| Coordinates | 7247778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ZIF-67 |
|---|---|
| Formula | C11.67 H21 Co N4 O1.83 |
| Calculated formula | C8 H10 Co N4 |
| Title of publication | High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 |
| Authors of publication | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 47 |
| Pages of publication | 6533 - 6538 |
| a | 16.923 ± 0.0005 Å |
| b | 16.923 ± 0.0005 Å |
| c | 16.923 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4846.5 ± 0.2 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1773 |
| Weighted residual factors for all reflections included in the refinement | 0.1899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288793 (current) | 2024-01-06 | cif/ Updating files of 7247762, 7247763, 7247764, 7247765, 7247766, 7247767, 7247768, 7247769, 7247770, 7247771, 7247772, 7247773, 7247774, 7247775, 7247776, 7247777, 7247778, 7247779 Original log message: Adding full bibliography for 7247762--7247779.cif. |
7247778.cif |
| 287746 | 2023-11-23 | cif/ Adding structures of 7247762, 7247763, 7247764, 7247765, 7247766, 7247767, 7247768, 7247769, 7247770, 7247771, 7247772, 7247773, 7247774, 7247775, 7247776, 7247777, 7247778, 7247779 via cif-deposit CGI script. |
7247778.cif |
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Users of the data should acknowledge the original authors of the
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