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Information card for entry 7009725
Preview
| Coordinates | 7009725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H36 Au Ir6 O21 P2 Ru3 |
|---|---|
| Calculated formula | C63 Au Ir6 O21 P2 Ru3 |
| SMILES | [Au][P](c1ccccc1)(c1ccccc1)c1ccccc1.[Ir]12([Ir]3([Ir]4([Ir]56([Ir]1([Ir]35([Ru]2(C#[O])(C#[O])C#[O])(C#[O])C#[O])([Ru]46(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])([Ru](C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and characterization of high-nuclearity iridium‒ruthenium and ‒gold mixed-metal carbonyl clusters, [Ir7Ru3(CO)23]−, [Ir7Ru3(CO)23(AuPPh3)] and [Ir6Ru3(CO)21(AuPPh3)]−, possessing tetrahedrally capped octahedral iridium cores obtained by capping reactions with [Ru3(CO)12] and [AuCl(PPh3)] |
| Authors of publication | Chihara, Teiji; Sato, Mayumi; Konomoto, Hiromi; Kamiguchi, Satoshi; Ogawa, Haruo; Wakatsuki, Yasuo |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 14 |
| Pages of publication | 2295 |
| a | 16.819 ± 0.009 Å |
| b | 17.188 ± 0.004 Å |
| c | 16.321 ± 0.003 Å |
| α | 110.74 ± 0.02° |
| β | 112.47 ± 0.03° |
| γ | 64.29 ± 0.04° |
| Cell volume | 3827 ± 3 Å3 |
| Cell temperature | 294.2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.615 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7009725.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009725.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009725.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009725.cif |
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