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Information card for entry 4003605
Preview
| Coordinates | 4003605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H52 F6 O27 S2 Zr6 |
|---|---|
| Calculated formula | C57 H52 F6 O27 S2 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 | 12.8761 ± 0.0004 Å |
| b | 16.5123 ± 0.0005 Å |
| c | 18.537 ± 0.0006 Å |
| α | 102.277 ± 0.002° |
| β | 104.442 ± 0.002° |
| γ | 97.331 ± 0.002° |
| Cell volume | 3660.8 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253523 (current) | 2020-06-28 | cif/ Adding structures of 4003605 via cif-deposit CGI script. |
4003605.cif |
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Users of the data should acknowledge the original authors of the
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