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Information card for entry 7134807
Preview
| Coordinates | 7134807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H162 Ca2 N4 O4 |
|---|---|
| Calculated formula | C90 H148 Ca2 N4 O4 |
| Title of publication | Low-Coordinate Calcium Peroxide and Oxide Complexes |
| Authors of publication | Thum, Stefan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 12.822 ± 0.0003 Å |
| b | 12.859 ± 0.0002 Å |
| c | 16.6221 ± 0.0003 Å |
| α | 71.9328 ± 0.0016° |
| β | 71.5933 ± 0.0019° |
| γ | 62.498 ± 0.002° |
| Cell volume | 2262.16 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.4 K |
| Ambient diffraction temperature | 100 ± 0.4 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 | 0.0335 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300348 (current) | 2025-07-05 | cif/ Adding structures of 7134806, 7134807 via cif-deposit CGI script. |
7134807.cif |
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