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Information card for entry 7009712
Preview
| Coordinates | 7009712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [HIr4(CO)7(PPH2)(PPh3)(PPhCPhCPh)] |
|---|---|
| Formula | C57 H41 Ir4 O7 P3 |
| Calculated formula | C57 H40 Ir4 O7 P3 |
| SMILES | [Ir]123([Ir]456([Ir]1([Ir]24(C#[O])(C#[O])C(=C([P]36c1ccccc1)c1ccccc1)c1ccccc1)([P]5(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O] |
| Title of publication | 1,2,3-Triphenylphosphirene derivatives of the iridium carbonyl clusters [HIr4(CO)9L(μ-PPh2)] (L = CO, PPh3) resulting from substitution, insertion and hydrometallation processes † |
| Authors of publication | Hitchcock, Peter B.; Nixon, John F.; Vargas, Maria D.; Ziglio, Cláudio M. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 15 |
| Pages of publication | 2527 |
| a | 15.174 ± 0.006 Å |
| b | 20.952 ± 0.005 Å |
| c | 17.733 ± 0.006 Å |
| α | 90° |
| β | 109.27 ± 0.03° |
| γ | 90° |
| Cell volume | 5322 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1798 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179801 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/97. |
7009712.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009712.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009712.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009712.cif |
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