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Information card for entry 4500000
Preview
| Coordinates | 4500000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 O5.333 Zr |
|---|---|
| Calculated formula | C22 O5.33333 Zr |
| Title of publication | Steric and Electronic Effects on the Interaction of Xe and Kr with Functionalized Zirconia Metal–Organic Frameworks |
| Authors of publication | Fairchild, David C.; Hossain, Mohammad I.; Cordova, Jesus; Glover, T. Grant; Uribe-Romo, Fernando J. |
| Journal of publication | ACS Materials Letters |
| Year of publication | 2021 |
| Pages of publication | 504 - 510 |
| a | 33.946 ± 0.016 Å |
| b | 33.946 ± 0.016 Å |
| c | 33.946 ± 0.016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 39117 ± 3 Å3 |
| Ambient diffraction temperature | 300 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 3 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Weighted residual factors for significantly intense reflections | 0.03764 |
| RFsqd | 0.05302 |
| Goodness-of-fit parameter for all reflections | 2.001 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5405 Å |
| Diffraction radiation type | Kα~1,2~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1113 (current) | 2025-07-01 | cif/ Adding structures of 4500000 via cif-deposit CGI script. |
4500000.cif |
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Users of the data should acknowledge the original authors of the
structural data.