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Information card for entry 7241449
Preview
| Coordinates | 7241449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64.5 H59 Ce3 N4.5 O24.5 |
|---|---|
| Calculated formula | C64.5 H59 Ce3 N4.5 O24.4999 |
| Title of publication | Modulation of crystal growth and structure within cerium-based metal‒organic frameworks |
| Authors of publication | Wasson, Megan C.; Otake, Ken-ichi; Gong, Xinyi; Strathman, Annabella R.; Islamoglu, Timur; Gianneschi, Nathan C.; Farha, Omar K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 13.2389 ± 0.0006 Å |
| b | 14.3168 ± 0.0007 Å |
| c | 19.9089 ± 0.001 Å |
| α | 71.557 ± 0.004° |
| β | 74.917 ± 0.004° |
| γ | 75.843 ± 0.003° |
| Cell volume | 3401.7 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0729 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259284 (current) | 2020-11-29 | cif/ Adding structures of 7241449 via cif-deposit CGI script. |
7241449.cif |
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Users of the data should acknowledge the original authors of the
structural data.