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Information card for entry 4003872
Preview
| Coordinates | 4003872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C0.8 H1.5 F0.09 N0.2 O2 Si |
|---|---|
| Calculated formula | C0.8 H1.5 F0.088 N0.2 O2 Si |
| Title of publication | Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology |
| Authors of publication | Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 11.881 ± 0.002 Å |
| b | 11.881 ± 0.002 Å |
| c | 29.696 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3630.2 ± 1.1 Å3 |
| Cell temperature | 298.15 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 6 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262240 (current) | 2021-02-26 | cif/ Adding structures of 4003872 via cif-deposit CGI script. |
4003872.cif |
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