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Information card for entry 1572450
Preview
| Coordinates | 1572450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H108 Cu4 Na4 O32 Si12 |
|---|---|
| Calculated formula | C96 H108 Cu4 Na4 O32 Si12 |
| Title of publication | Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes. |
| Authors of publication | Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di |
| Journal of publication | Nanoscale |
| Year of publication | 2024 |
| Journal volume | 16 |
| Journal issue | 39 |
| Pages of publication | 18389 - 18398 |
| a | 43.4569 ± 0.0002 Å |
| b | 40.1289 ± 0.0002 Å |
| c | 12.69074 ± 0.00009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 22131.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0966 |
| Weighted residual factors for significantly intense reflections | 0.2326 |
| Weighted residual factors for all reflections included in the refinement | 0.2351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296620 (current) | 2024-12-06 | cif/ Updating files of 1572445, 1572446, 1572447, 1572448, 1572449, 1572450, 1572451, 1572452, 1572453, 1572454, 1572455, 1572456, 1572457, 1572458, 1572459, 1572460, 1572461, 1572462, 1572463 Original log message: Adding full bibliography for 1572445--1572463.cif. |
1572450.cif |
| 294347 | 2024-09-04 | cif/ Adding structures of 1572445, 1572446, 1572447, 1572448, 1572449, 1572450, 1572451, 1572452, 1572453, 1572454, 1572455, 1572456, 1572457, 1572458, 1572459, 1572460, 1572461, 1572462, 1572463 via cif-deposit CGI script. |
1572450.cif |
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Users of the data should acknowledge the original authors of the
structural data.