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Information card for entry 4060534
Preview
| Coordinates | 4060534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H26 Br Ir N2 |
|---|---|
| Calculated formula | C21 H26 Br Ir N2 |
| SMILES | [Ir]12345(Br)(=C6N(c7c(N6CC=C)cccc7)C[CH]1=[CH2]2)[CH]1=[CH]3CC[CH]4=[CH]5CC1 |
| Title of publication | Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation |
| Authors of publication | Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 9 |
| Pages of publication | 2203 - 2209 |
| a | 8.6482 ± 0.0008 Å |
| b | 10.7943 ± 0.001 Å |
| c | 11.8122 ± 0.0011 Å |
| α | 64.442 ± 0.001° |
| β | 75.631 ± 0.002° |
| γ | 88.124 ± 0.002° |
| Cell volume | 960.17 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 |
|---|---|---|---|
| 277847 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4060534.cif |
| 210322 | 2018-09-01 | cif/ Updating bibliography in entries 1100896-1100898, 4060534-4060536. Marking entries 1100896-1100898 as duplicates of entries 4060534-4060536. |
4060534.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4060534.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060534.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. |
4060534.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/' |
4060534.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060534.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. |
4060534.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) |
4060534.cif |
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Users of the data should acknowledge the original authors of the
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