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Information card for entry 4078237
Preview
| Coordinates | 4078237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H46 Au2 Cl2 Ir4 O10 P3 |
|---|---|
| Calculated formula | C65 H46 Au2 Cl2 Ir4 O10 P3 |
| SMILES | [Ir]12345([Ir]67([Ir]891([Ir]26([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C5=O)(C9=O)C#[O])([Au]37([Au]48[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].C(Cl)Cl |
| Title of publication | Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement |
| Authors of publication | Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 9 |
| Pages of publication | 3588 |
| a | 15.858 ± 0.0008 Å |
| b | 23.855 ± 0.0013 Å |
| c | 17.3821 ± 0.0009 Å |
| α | 90° |
| β | 95.644 ± 0.001° |
| γ | 90° |
| Cell volume | 6543.6 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0567 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178671 (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 4/07/82. |
4078237.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078237.cif |
| 59862 | 2012-06-14 | cif/ Adding structures of 4078234, 4078235, 4078236, 4078237, 4078238 via cif-deposit CGI script. |
4078237.cif |
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Users of the data should acknowledge the original authors of the
structural data.