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Information card for entry 7064082
Preview
| Coordinates | 7064082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H57 Cl N2 O2 Pd |
|---|---|
| Calculated formula | C40 H57 Cl N2 O2 Pd |
| Title of publication | Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis |
| Authors of publication | Isaeva, Dilshodakhon K.; Topchiy, Maxim; Drokin, Egor A.; Rasskazova, Maria A.; Smol'yakov, Alexander F.; Minaeva, Lidiya; Asachenko, Andrey |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 15.1124 ± 0.001 Å |
| b | 14.6094 ± 0.001 Å |
| c | 17.3407 ± 0.0012 Å |
| α | 90° |
| β | 95.704 ± 0.002° |
| γ | 90° |
| Cell volume | 3809.6 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303049 (current) | 2025-10-28 | cif/ Adding structures of 7064076, 7064077, 7064078, 7064079, 7064080, 7064081, 7064082 via cif-deposit CGI script. |
7064082.cif |
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Users of the data should acknowledge the original authors of the
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