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Information card for entry 4062411
Preview
| Coordinates | 4062411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H27 Co O6 Ti |
|---|---|
| Calculated formula | C22 H27 Co O6 Ti |
| SMILES | [Co](C#[O])(C#[O])(C#[O])C#[O].[Ti]12345678(OC(C)(C)C)([O]9CCCC9)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Novel Titanium-Cobalt Complexes Formed by Reductive Cleavage of a Co-Co Bond in Co~2~(CO)~8~ by Titanocene tert-Butoxides: Synthesis, Characterization, and Mechanistic Aspects for Metal-Metal Bond Recombination |
| Authors of publication | Niibayashi, Shota; Mitsui, Kaoru; Matsubara, Kouki; Nagashima, Hideo |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| Journal volume | 22 |
| Journal issue | 24 |
| Pages of publication | 4885 - 4892 |
| a | 7.628 ± 0.002 Å |
| b | 9.686 ± 0.003 Å |
| c | 10.081 ± 0.003 Å |
| α | 58.36 ± 0.02° |
| β | 72.66 ± 0.02° |
| γ | 64.84 ± 0.02° |
| Cell volume | 571.2 ± 0.3 Å3 |
| Cell temperature | 123.1 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| 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. |
4062411.cif |
| 192134 | 2017-02-15 | cif/4/06/24/ (antanas@echidna.ibt.lt) Updating bibliography in entries 4062409, 4062410, 4062411, 4062412. |
4062411.cif |
| 100383 | 2014-02-05 | cif/4/06/24/ Fixing bibliography for structures 4062409 and 406241[012]. |
4062411.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062411.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. |
4062411.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/' |
4062411.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062411.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. |
4062411.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) |
4062411.cif |
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Users of the data should acknowledge the original authors of the
structural data.