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Information card for entry 4327319
Preview
| Coordinates | 4327319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H15 Ir3 O10 Ru2 W |
|---|---|
| Calculated formula | C27 H15 Ir3 O10 Ru2 W |
| SMILES | [Ir]12345([Ir]6789([Ir]%10%111([Ru]1%12%13%14(C%10=O)(C#[O])([C]59%11=[C]48[W]4589%10%1126([Ru]26%15%1637(C4=O)(C5=O)[cH]3[cH]2[cH]6[cH]%15[cH]%163)[cH]2[cH]%11[cH]%10[cH]9[cH]82)[cH]2[cH]%14[cH]%13[cH]%12[cH]12)(C#[O])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 | 14.919 ± 0.001 Å |
| b | 11.864 ± 0.001 Å |
| c | 16.223 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2871.5 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.044 |
| Goodness-of-fit parameter for all reflections | 1.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4327319.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327319.cif |
| 61083 | 2012-06-21 | cif/ Adding structures of 4327319 via cif-deposit CGI script. |
4327319.cif |
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