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Information card for entry 4060477
Preview
| Coordinates | 4060477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H56 F3 N3 O3 S2 Ti |
|---|---|
| Calculated formula | C42 H56 F3 N3 O3 S2 Ti |
| SMILES | [Ti]12(S\C(=C/C(C)(C)C)N1c1ccccc1)(N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)OS(=O)(=O)C(F)(F)F |
| Authors of publication | Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| a | 10.6619 ± 0.0004 Å |
| b | 12.778 ± 0.0004 Å |
| c | 16.7565 ± 0.0006 Å |
| α | 91.363 ± 0.001° |
| β | 94.131 ± 0.001° |
| γ | 109.029 ± 0.001° |
| Cell volume | 2149.8 ± 0.13 Å3 |
| Cell temperature | 132 ± 2 K |
| Ambient diffraction temperature | 132 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277847 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4060477.cif |
| 277846 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4060477.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4060477.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060477.cif |
| 31979 | 2012-01-03 | cif/ Removing asteriscs from author names in 146 more COD entries. |
4060477.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4060477.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4060477.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060477.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4060477.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4060477.cif |
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Users of the data should acknowledge the original authors of the
structural data.