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Information card for entry 7010992
Preview
| Coordinates | 7010992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H56 N4 O2 Ti2 |
|---|---|
| Calculated formula | C44 H52 N4 O2 Ti2 |
| SMILES | c1cccc2C(C)=c3ccccn3[Ti]34567([n]12)(O[Ti]1289%10(n%11ccccc%11=C(C)c%11cccc[n]1%11)(O3)[c]1([c]9([c]%10([c]8([c]21C)C)C)C)C)[c]1([c]6([c]7([c]5([c]41C)C)C)C)C |
| Title of publication | Isolation and characterization of the first bis(2-pyridyl)carbyltitanium(IV) complex derived from the C‒O bond cleavage of the alkoxide ligand in Cp*TiMe2(OCMePy2). X-Ray crystal structure of [Cp*Ti(μ-O)(CMePy2)]2 (Cp* = C5Me5) |
| Authors of publication | Rosa Fandos; Carolina Hernández; Antonio Otero; Ana Rodríguez; Maria José Ruiz; Pilar Terreros |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 1 |
| Pages of publication | 11 - 13 |
| a | 11.034 ± 0.002 Å |
| b | 10.346 ± 0.003 Å |
| c | 16.992 ± 0.007 Å |
| α | 90° |
| β | 103.96 ± 0.01° |
| γ | 90° |
| Cell volume | 1882.5 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1913 |
| Residual factor for significantly intense reflections | 0.0971 |
| Weighted residual factors for significantly intense reflections | 0.2134 |
| Weighted residual factors for all reflections included in the refinement | 0.291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010992.cif |
| 179813 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/09. |
7010992.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010992.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010992.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010992.cif |
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