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Information card for entry 4100569
Preview
| Coordinates | 4100569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H24 F4 Ir P |
|---|---|
| Calculated formula | C15 H24 F4 Ir P |
| SMILES | [Ir]1234([P](C)(C)C)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)=C(F)C(F)(F)F |
| Title of publication | A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium |
| Authors of publication | Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 15020 - 15021 |
| a | 12.6958 ± 0.0017 Å |
| b | 17.033 ± 0.002 Å |
| c | 17.415 ± 0.002 Å |
| α | 109.33 ± 0.002° |
| β | 100.572 ± 0.002° |
| γ | 90.329 ± 0.002° |
| Cell volume | 3484.2 ± 0.8 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 |
|---|---|---|---|
| 277856 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4100569.cif |
| 277855 | 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. |
4100569.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4100569.cif |
| 63665 | 2012-08-05 | cif/4 Adding bibliographic data to some JACS-2005 entries |
4100569.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4100569.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. |
4100569.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/' |
4100569.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4100569.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. |
4100569.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) |
4100569.cif |
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Users of the data should acknowledge the original authors of the
structural data.