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Information card for entry 7009723
Preview
| Coordinates | 7009723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H42 Ir7 N O23 P2 Ru3 |
|---|---|
| Calculated formula | C65 Ir7 N O23 P2 Ru3 |
| SMILES | [Ir]([Ru]([Ir]12([Ir]3([Ir]45([Ir]([Ir]134(C#[O])C#[O])([Ir]5(C#[O])C#[O])([Ru]2(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])(C#[O])(C#[O])C#[O])(C#[O])C#[O].P(=N[P+](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C |
| 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 | 15.898 ± 0.002 Å |
| b | 22.118 ± 0.002 Å |
| c | 11.95 ± 0.001 Å |
| α | 94.89 ± 0.02° |
| β | 96.11 ± 0.01° |
| γ | 105.5 ± 0.02° |
| Cell volume | 3997.7 ± 0.8 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 | 0.0419 |
| Weighted residual factors for all reflections included in the refinement | 0.0482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.452 |
| 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. |
7009723.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009723.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009723.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009723.cif |
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Users of the data should acknowledge the original authors of the
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