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Information card for entry 7007460
Preview
| Coordinates | 7007460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H59 Cl10 N10 S2 Ti2 |
|---|---|
| Calculated formula | C36 H59 Cl10 N10 S2 Ti2 |
| Title of publication | Design of new heteroscorpionate ligands and their coordinative ability toward Group 4 transition metals; an efficient synthetic route to obtain enantiopure ligands. |
| Authors of publication | Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Barba, Luis; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 36 |
| Pages of publication | 4359 - 4370 |
| a | 37.375 ± 0.005 Å |
| b | 9.892 ± 0.003 Å |
| c | 30.905 ± 0.003 Å |
| α | 90° |
| β | 97.57 ± 0.02° |
| γ | 90° |
| Cell volume | 11326 ± 4 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1794 |
| Residual factor for significantly intense reflections | 0.0839 |
| Weighted residual factors for significantly intense reflections | 0.2532 |
| Weighted residual factors for all reflections included in the refinement | 0.3082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179778 (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 7/00/74. |
7007460.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007460.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007460.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007460.cif |
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Users of the data should acknowledge the original authors of the
structural data.