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Information card for entry 4003610
Preview
| Coordinates | 4003610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H108 Cl4 O40 Zr12 |
|---|---|
| Calculated formula | C131 H108 Cl4 O40 Zr12 |
| 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 | 28.0148 ± 0.0007 Å |
| b | 28.0148 ± 0.0007 Å |
| c | 39.6287 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 31101.8 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.1463 |
| Residual factor for significantly intense reflections | 0.1212 |
| Weighted residual factors for significantly intense reflections | 0.3957 |
| Weighted residual factors for all reflections included in the refinement | 0.4501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.061 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253528 (current) | 2020-06-28 | cif/ Adding structures of 4003610 via cif-deposit CGI script. |
4003610.cif |
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