Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7009713
Preview
| Coordinates | 7009713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ir4(CO)8(PPh2)(PHPCPhCPh)(PhPCPhCHPh)] |
|---|---|
| Formula | C60 H41 Ir4 O8 P3 |
| Calculated formula | C60 H41 Ir4 O8 P3 |
| SMILES | [Ir]12([P]3(c4ccccc4)[Ir]4([P](c5ccccc5)(c5ccccc5)[Ir]([Ir]24(C#[O])(C#[O])/C(=C3\c2ccccc2)c2ccccc2)([P]1(c1ccccc1)/C(=C/c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O])(C#[O])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 | 22.206 ± 0.004 Å |
| b | 17.563 ± 0.002 Å |
| c | 35.748 ± 0.005 Å |
| α | 90° |
| β | 100.08 ± 0.02° |
| γ | 90° |
| Cell volume | 13727 ± 4 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.198 |
| Residual factor for significantly intense reflections | 0.0861 |
| Weighted residual factors for significantly intense reflections | 0.1923 |
| Weighted residual factors for all reflections included in the refinement | 0.2466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| 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. |
7009713.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009713.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009713.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009713.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.