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Information card for entry 4075397
Preview
| Coordinates | 4075397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H27 F7 Ir P |
|---|---|
| Calculated formula | C17 H27 F7 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)(F)C(F)(F)C(F)(F)F)C |
| Title of publication | Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds |
| Authors of publication | Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 14 |
| Pages of publication | 3474 |
| a | 8.6376 ± 0.0004 Å |
| b | 14.5419 ± 0.0006 Å |
| c | 16.7255 ± 0.0007 Å |
| α | 90° |
| β | 104.303 ± 0.001° |
| γ | 90° |
| Cell volume | 2035.72 ± 0.15 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178642 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/53. |
4075397.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075397.cif |
| 49228 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075397, 4075398, 4075399, 4075400, 4075401 via cif-deposit CGI script. |
4075397.cif |
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Users of the data should acknowledge the original authors of the
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