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Information card for entry 4065333
Preview
| Coordinates | 4065333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H20 Ir5 O12 P |
|---|---|
| Calculated formula | C36 H20 Ir5 O12 P |
| SMILES | [Ir]1234([Ir]56([Ir]781([Ir]25([Ir]67(C8=O)(c1ccccc1)(C#[O])C#[O])(C4=O)(C#[O])C#[O])(C#[O])C#[O])(C3=O)(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O] |
| Title of publication | Transmetalation Reactions Yield New Tetra- and Pentairidium Carbonyl Complexes Containing σ-Bonded Phenyl Rings |
| Authors of publication | Adams, Richard D.; Chen, Mingwei |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 21 |
| Pages of publication | 5867 |
| a | 18.5348 ± 0.0004 Å |
| b | 13.0734 ± 0.0003 Å |
| c | 15.9317 ± 0.0004 Å |
| α | 90° |
| β | 103.922 ± 0.001° |
| γ | 90° |
| Cell volume | 3747.05 ± 0.15 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178546 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/53. |
4065333.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065333.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065333.cif |
| 33253 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065331, 4065332, 4065333, 4065334 via cif-deposit CGI script. |
4065333.cif |
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Users of the data should acknowledge the original authors of the
structural data.