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Information card for entry 7004482
Preview
| Coordinates | 7004482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H92 F6 N10 O6 S2 Si4 Zr2 |
|---|---|
| Calculated formula | C54 H92 F6 N10 O6 S2 Si4 Zr2 |
| SMILES | C1C2(C)c3cccc[n]3[Zr]3(N1[Si](C)(C)C(C)(C)C)(N(C2)[Si](C)(C)C(C)(C)C)(N=n1ccccc1)[O]=S(O[Zr]12(N(CC(CN1[Si](C)(C)C(C)(C)C)(C)c1cccc[n]21)[Si](C)(C)C(C)(C)C)(N=n1ccccc1)[O]=S(O3)(=O)C(F)(F)F)(=O)C(F)(F)F |
| Title of publication | Zirconium and hafnium (1-pyridinio)imido complexes: functionalized terminal hydrazinediido analogues |
| Authors of publication | Herrmann, Heike; Gehrmann, Thorsten; Wadepohl, Hubert; Gade, Lutz H. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 44 |
| Pages of publication | 6231 - 6241 |
| a | 10.451 ± 0.003 Å |
| b | 10.513 ± 0.003 Å |
| c | 16.952 ± 0.005 Å |
| α | 101.762 ± 0.006° |
| β | 90.268 ± 0.006° |
| γ | 109.007 ± 0.005° |
| Cell volume | 1718.9 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0961 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1378 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179748 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/44. |
7004482.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004482.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004482.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004482.cif |
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