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Information card for entry 7712624
Preview
| Coordinates | 7712624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H29 I3 La N3 O |
|---|---|
| Calculated formula | C13 H29 I3 La N3 O |
| SMILES | [La]12(I)(I)(I)([O]3CCCC3)[N]3(CC[N]1(C)CC[N]2(C)CC3)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 | 16.0712 ± 0.0013 Å |
| b | 10.0909 ± 0.0008 Å |
| c | 13.2624 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2150.8 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0493 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0837 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
7712624.cif |
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Users of the data should acknowledge the original authors of the
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