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Information card for entry 4062235
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| Coordinates | 4062235.cif |
|---|
| Formula | C30 H43 Ir O P2 |
|---|---|
| Calculated formula | C30 H43 Ir O P2 |
| SMILES | [Ir]12([P](CC)(CC)CC)([P](CC)(CC)CC)([C@@]3([C@]1(C3C=C2)c1ccccc1)c1ccccc1)C#[O] |
| Title of publication | Synthesis, structure, and spectroscopy of a family of iridabenzenes generated by the reaction of Vaska-type complexes with a nucleophilic 3-vinyl-1-cyclopropene. |
| Authors of publication | Haley, Michael M.; Gilbertson, Robert D.; Lau, Thomas L.S; Lanza, Seren; Wu, He-Ping; Weakley, Timothy J.R. |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| a | 11.19 ± 0.001 Å |
| b | 14.014 ± 0.003 Å |
| c | 18.878 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2960.3 ± 0.6 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| 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. |
4062235.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062235.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. |
4062235.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/' |
4062235.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062235.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. |
4062235.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) |
4062235.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.