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Information card for entry 4060403
Preview
| Coordinates | 4060403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H27 N O Zr |
|---|---|
| Calculated formula | C24 H27 N O Zr |
| SMILES | [Zr]123456789(N([C@H]%10[C@H]%11O[C@H](c%12c%11cccc%12)[C@@H]1%10)C(C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.[Zr]123456789(N([C@@H]%10[C@@H]%11O[C@@H](c%12c%11cccc%12)[C@H]1%10)C(C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91 |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| a | 12.459 ± 0.004 Å |
| b | 12.6 ± 0.004 Å |
| c | 13.982 ± 0.005 Å |
| α | 81.834 ± 0.007° |
| β | 65.711 ± 0.006° |
| γ | 86.004 ± 0.007° |
| Cell volume | 1980.2 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4060403.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4060403.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060403.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. |
4060403.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/' |
4060403.cif |
| 14 | 2008-01-13 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060403.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. |
4060403.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) |
4060403.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.