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Information card for entry 1564855
Preview
| Coordinates | 1564855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H21 N3 O3 W |
|---|---|
| Calculated formula | C12 H18 N3 O3 W |
| SMILES | C(#[O])[W]12([N]3(C)CC[N]1(CC[N]2(CC3)C)C)(C#[O])C#[O] |
| Title of publication | Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes |
| Authors of publication | Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 507 |
| Pages of publication | 119599 |
| a | 13.859 ± 0.002 Å |
| b | 13.042 ± 0.002 Å |
| c | 8.2384 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1489.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.868 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269820 (current) | 2021-10-07 | cif/ Adding structures of 1564855 via cif-deposit CGI script. |
1564855.cif |
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Users of the data should acknowledge the original authors of the
structural data.