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Information card for entry 7034306
Preview
| Coordinates | 7034306.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H70 B2 N4 O0.5 Si Zr |
|---|---|
| Calculated formula | C37 H66 B2 N4 Si Zr |
| SMILES | [Zr]123(N([Si](N1c1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([n]1ccc(N(C)C)cc1)([H][BH2][H]2)[H][BH2][H]3 |
| Title of publication | Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands. |
| Authors of publication | Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 15 |
| Pages of publication | 7009 - 7020 |
| a | 10.8302 ± 0.0004 Å |
| b | 16.9778 ± 0.0007 Å |
| c | 23.5656 ± 0.0009 Å |
| α | 90° |
| β | 91.998 ± 0.001° |
| γ | 90° |
| Cell volume | 4330.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7034306.cif |
| 134985 | 2015-04-06 | cif/ Updating files of 7034303, 7034304, 7034305, 7034306, 7034307, 7034308 Original log message: Adding full bibliography for 7034303--7034308.cif. |
7034306.cif |
| 133596 | 2015-03-07 | cif/ Adding structures of 7034303, 7034304, 7034305, 7034306, 7034307, 7034308 via cif-deposit CGI script. |
7034306.cif |
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Users of the data should acknowledge the original authors of the
structural data.