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Information card for entry 7005077
Preview
| Coordinates | 7005077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H55 Cl2 O4.5 Si2 Ti2 |
|---|---|
| Calculated formula | C46 H55 Cl2 O4.5 Si2 Ti2 |
| SMILES | [Ti]12345(Cl)(O[Ti]6789(Cl)(O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.O(CC)CC |
| Title of publication | Synthesis and characterization of complexes containing Ti-O-Si moieties. Catalytic activity in olefin epoxidation. |
| Authors of publication | Fandos, Rosa; Gallego, Beatriz; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 8 |
| Pages of publication | 871 - 877 |
| a | 10.959 ± 0.003 Å |
| b | 18.851 ± 0.005 Å |
| c | 23.007 ± 0.006 Å |
| α | 82.568 ± 0.005° |
| β | 80.411 ± 0.005° |
| γ | 82.677 ± 0.005° |
| Cell volume | 4620 ± 2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1799 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.1337 |
| Weighted residual factors for all reflections included in the refinement | 0.1771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179754 (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 7/00/50. |
7005077.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005077.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005077.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005077.cif |
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