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Information card for entry 7009681
Preview
| Coordinates | 7009681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H27 Cl3 N3 O Ta |
|---|---|
| Calculated formula | C26 Cl3 N3 O Ta |
| SMILES | [Ta]12345(Cl)(Cl)(OC(c6ccccn6)c6cccc[n]16)[c]1(C)[c]4(C)[c]5([c]2([c]31C)C)C.[Cl-].c1ncccc1 |
| Title of publication | Synthesis and characterization of 2-pyridylalkoxide complexes of titanium, zirconium and tantalum. Crystal structures of TiCp*Me2(OCMePy2) and TaCp*Cl3(OCPy3) (Cp* = η5-C5Me5, Py = C5H4N) |
| Authors of publication | Fandos, Rosa; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, Maria José; Terreros, Pilar |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 17 |
| Pages of publication | 2990 |
| a | 15.369 ± 0.006 Å |
| b | 16.609 ± 0.0006 Å |
| c | 12.455 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3179 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0879 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.2214 |
| Weighted residual factors for all reflections included in the refinement | 0.2443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179800 (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 7/00/96. |
7009681.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009681.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009681.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009681.cif |
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