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Information card for entry 7005543
Preview
| Coordinates | 7005543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90.79 H72.79 Cl2.36 N2 O7 Ti2 |
|---|---|
| Calculated formula | C90.788 H72.7874 Cl2.364 N2 O7 Ti2 |
| Title of publication | Stereoselective dimerization of racemic C3-symmetric Ti(IV) amine triphenolate complexes. |
| Authors of publication | Bernardinelli, Gérald; Seidel, Thomas M.; Kündig, E Peter; Prins, Leonard J.; Kolarovic, Andrej; Mba, Miriam; Pontini, Marta; Licini, Giulia |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 16 |
| Pages of publication | 1573 - 1576 |
| a | 13.2828 ± 0.0008 Å |
| b | 15.6644 ± 0.0007 Å |
| c | 18.5844 ± 0.0012 Å |
| α | 90° |
| β | 105.269 ± 0.007° |
| γ | 90° |
| Cell volume | 3730.3 ± 0.4 Å3 |
| Cell temperature | 200 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.33 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179759 (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 7/00/55. |
7005543.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7005543.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005543.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005543.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005543.cif |
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