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Information card for entry 4062622
Preview
| Coordinates | 4062622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H74 N3 Sc |
|---|---|
| Calculated formula | C48 H74 N3 Sc |
| SMILES | [Sc@]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)C |
| Title of publication | β-Diketiminato Scandium Chemistry: Synthesis, Characterization, and Thermal Behavior of Primary Amido Alkyl Derivatives |
| Authors of publication | Knight, L.; Piers, W. E.; Fleurat-Lessard, P.; Parvez, M.; McDonald, R. |
| Journal of publication | Organometallics |
| Year of publication | 2004 |
| Journal volume | 23 |
| Pages of publication | 2087 - 2094 |
| a | 13.5396 ± 0.0002 Å |
| b | 18.1218 ± 0.0002 Å |
| c | 18.556 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4552.94 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| 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. |
4062622.cif |
| 100244 | 2014-02-04 | cif/4/06/26/ Fixing bibliographies for structures 4062619 and 406262[0123]. |
4062622.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062622.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. |
4062622.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/' |
4062622.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062622.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. |
4062622.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) |
4062622.cif |
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Users of the data should acknowledge the original authors of the
structural data.