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Information card for entry 4336221
Preview
| Coordinates | 4336221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Ir4 O10 W |
|---|---|
| Calculated formula | C24 H18 Ir4 O10 W |
| SMILES | [Ir]1234([Ir]567([Ir]89%10%11%121([W]1%13%14%1536([Ir]25(C4=O)(C7=O)(C#[O])C#[O])([cH]2[cH]1[cH]%13[cH]%14[cH]%152)(C#[O])C%12=O)[cH]1[c]8([c]9([c]%10([c]%111C)C)C)C)(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me) |
| Authors of publication | Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 11256 - 11268 |
| a | 16.7438 ± 0.0003 Å |
| b | 8.9574 ± 0.0001 Å |
| c | 19.3271 ± 0.0003 Å |
| α | 90° |
| β | 109.079 ± 0.0008° |
| γ | 90° |
| Cell volume | 2739.46 ± 0.07 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for all reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.0659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9763 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4336221.cif |
| 102197 | 2014-02-19 | cif/ Adding structures of 4336221 via cif-deposit CGI script. |
4336221.cif |
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Users of the data should acknowledge the original authors of the
structural data.