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Information card for entry 4003609
Preview
| Coordinates | 4003609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H57 Cl2 F3 O20 Zr6 |
|---|---|
| Calculated formula | C66 H57 Cl2.0001 F3 O20 Zr6 |
| Title of publication | Ligand-Based Phase Control in Porous Zirconium Coordination Cages |
| Authors of publication | Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 16.4279 ± 0.0009 Å |
| b | 16.4279 ± 0.0009 Å |
| c | 21.9721 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5135.3 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 190 |
| Hermann-Mauguin space group symbol | P -6 2 c |
| Hall space group symbol | P -6c -2c |
| Residual factor for all reflections | 0.0898 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2477 |
| Weighted residual factors for all reflections included in the refinement | 0.2514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.277 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253527 (current) | 2020-06-28 | cif/ Adding structures of 4003609 via cif-deposit CGI script. |
4003609.cif |
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Users of the data should acknowledge the original authors of the
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