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Information card for entry 8106622
Preview
| Coordinates | 8106622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H75 Hf N3 |
|---|---|
| Calculated formula | C40 H75 Hf N3 |
| SMILES | [Hf](N(C1CCCCC1)C1CCCCC1)(N(C1CCCCC1)C1CCCCC1)(N(C1CCCCC1)C1CCCCC1)CCCC |
| Title of publication | Crystal structure of n-butyl-tris(dicyclo-hexylamido)hafnium(IV), C40H75HfN3 |
| Authors of publication | Adler, Christian; Schmidtmann, Marc; Beckhaus, Rüdiger |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 623 - 625 |
| a | 10.7446 ± 0.0003 Å |
| b | 13.6547 ± 0.0004 Å |
| c | 26.5464 ± 0.0009 Å |
| α | 90° |
| β | 92.2375 ± 0.0015° |
| γ | 90° |
| Cell volume | 3891.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0227 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0452 |
| Weighted residual factors for all reflections included in the refinement | 0.0461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280666 (current) | 2023-01-30 | cif/ Adding structures of 8106622 via cif-deposit CGI script. |
8106622.cif |
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Users of the data should acknowledge the original authors of the
structural data.