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Information card for entry 7712625
Preview
| Coordinates | 7712625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H31 Cl3 N3 O2 Y |
|---|---|
| Calculated formula | C14 H31 Cl3 N3 O2 Y |
| SMILES | [Y]12(Cl)(Cl)(Cl)([O]3CCCC3)([O]3CCCC3)[N]3(C[N]1(C[N]2(C3)C)C)C |
| Title of publication | Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts |
| Authors of publication | Wedal, Justin C.; Ziller, Joseph W.; Evans, William J. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 7.5589 ± 0.0005 Å |
| b | 13.5752 ± 0.0009 Å |
| c | 20.015 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2053.8 ± 0.2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0224 |
| Residual factor for significantly intense reflections | 0.0188 |
| Weighted residual factors for significantly intense reflections | 0.0372 |
| Weighted residual factors for all reflections included in the refinement | 0.0377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281880 (current) | 2023-03-15 | cif/ Adding structures of 7712619, 7712620, 7712621, 7712622, 7712623, 7712624, 7712625, 7712626 via cif-deposit CGI script. |
7712625.cif |
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Users of the data should acknowledge the original authors of the
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