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Information card for entry 4300216
Preview
| Coordinates | 4300216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H72 Co2 F12 Li N9 O3 P2 |
|---|---|
| Calculated formula | C63 H72 Co2 F12 Li N9 O3 P2 |
| SMILES | [Co]123[N](c4ccccc4)=C5N1C(=[N]([Co]14([N](c6ccccc6)=C6N1C(=[N]2c1ccccc1)CCC6)[N](c1ccccc1)=C1N4C(=[N]3c2ccccc2)CCC1)c1ccccc1)CCC5.[Li]([F][P](F)(F)(F)(F)F)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | A Dinuclear Cation with Both Four- and Five-Coordinate Cobalt(II) |
| Authors of publication | F. Albert Cotton; Carlos A. Murillo; Hong-Cai Zhou |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 1039 - 1041 |
| a | 16.904 ± 0.003 Å |
| b | 17.328 ± 0.004 Å |
| c | 23.828 ± 0.005 Å |
| α | 98.21 ± 0.03° |
| β | 99.91 ± 0.03° |
| γ | 105.84 ± 0.03° |
| Cell volume | 6480 ± 2 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277859 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4300216.cif |
| 277857 | 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. |
4300216.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300216.cif |
| 62033 | 2012-07-06 | smi/7 Adding SMILES for misc. B-containing compounds |
4300216.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300216.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. |
4300216.cif |
| 119 | 2008-02-14 | 13 files corrected. |
4300216.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/' |
4300216.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300216.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. |
4300216.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) |
4300216.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.