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Information card for entry 4003603
Preview
| Coordinates | 4003603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H86 Cl2 N2 O22 Zr6 |
|---|---|
| Calculated formula | C96 H86 Cl2 N2 O22 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 | 10.6473 ± 0.0003 Å |
| b | 19.677 ± 0.0005 Å |
| c | 48.7602 ± 0.0012 Å |
| α | 90° |
| β | 94.934 ± 0.001° |
| γ | 90° |
| Cell volume | 10177.7 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1419 |
| Residual factor for significantly intense reflections | 0.1204 |
| Weighted residual factors for significantly intense reflections | 0.2506 |
| Weighted residual factors for all reflections included in the refinement | 0.2615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253521 (current) | 2020-06-28 | cif/ Adding structures of 4003603 via cif-deposit CGI script. |
4003603.cif |
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