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Information card for entry 4327320
Preview
| Coordinates | 4327320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H20 Ir2 O10 Ru2 W2 |
|---|---|
| Calculated formula | C34 H20 Ir2 O10 Ru2 W2 |
| SMILES | [Ir]1234([Ir]5([W]6789%10%11%122([W]2%13%14%15%16%171([Ru]1%18%19%2036(C2=O)([cH]2[cH]1[cH]%18[cH]%19[cH]%202)C%13=O)([C]47=[C]58C#C[Ru]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)[cH]1[cH]%14[cH]%15[cH]%16[cH]%171)(C#[O])[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(C#[O])(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Mixed-Metal Cluster Chemistry. 28. Core Enlargement of Tungsten-Iridium Clusters with Alkynyl, Ethyndiyl, and Butadiyndiyl Reagents |
| Authors of publication | Gulliver T. Dalton; Lydie Viau; Susan M. Waterman; Mark G. Humphrey; Michael I. Bruce; Paul J. Low; Rachel L. Roberts; Anthony C. Willis; George A. Koutsantonis; Brian W. Skelton; Allan H. White |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3261 - 3269 |
| a | 10.119 ± 0.0001 Å |
| b | 15.0991 ± 0.0001 Å |
| c | 22.4328 ± 0.0002 Å |
| α | 90° |
| β | 101.776 ± 0.0005° |
| γ | 90° |
| Cell volume | 3355.32 ± 0.05 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for all reflections included in the refinement | 0.0231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0609 |
| 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. |
4327320.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327320.cif |
| 61084 | 2012-06-21 | cif/ Adding structures of 4327320 via cif-deposit CGI script. |
4327320.cif |
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