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Information card for entry 4061982
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| Coordinates | 4061982.cif |
|---|
| Formula | C20 H32 B F4 Ir N3 P |
|---|---|
| Calculated formula | C20 H32 B F4 Ir N3 P |
| SMILES | [IrH]1([P](CCc2c1cccc2)(C(C)C)C(C)C)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-] |
| Title of publication | Synthesis, Molecular Structure and Reactivity of Iridium(I) and Iridium(III) Complexes formed by Coordination and C-H Activation of the Substituted Arenes C6H5CH2CH2PiPr2 and C6H5OCH2CH2PtBu2 |
| Authors of publication | Canepa,G.; Lahoz,F.J.; Martin,M; Oro,L.A.; Sola,E.; Werner,H. |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| a | 11.3293 ± 0.0007 Å |
| b | 11.3608 ± 0.0007 Å |
| c | 11.8529 ± 0.0008 Å |
| α | 113.827 ± 0.001° |
| β | 117.545 ± 0.001° |
| γ | 91.583 ± 0.001° |
| Cell volume | 1193.34 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 |
|---|---|---|---|
| 277847 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4061982.cif |
| 277846 | 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. |
4061982.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4061982.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. |
4061982.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/' |
4061982.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4061982.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. |
4061982.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) |
4061982.cif |
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Users of the data should acknowledge the original authors of the
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