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Information card for entry 4075852
Preview
| Coordinates | 4075852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H26 N2 O30 P2 Ru12 |
|---|---|
| Calculated formula | C66 H26 N2 O30 P2 Ru12 |
| SMILES | C(#[O])[Ru]12345(C#[O])[P](c6[n]([Ru]7892(C#[O])(C#[O])[C]2%10%111[Ru]1%12%13%147(C#[O])(C#[O])C(=O)[Ru]48%10%12(C#[O])(C#[O])[Ru]321(C#[O])(C#[O])(C#[O])[Ru]59%11%14(C%13=O)(C#[O])C#[O])ccc(c6)c1cc[n]2c([P](c3ccccc3)(c3ccccc3)[Ru]3456(C#[O])(C#[O])[C]789%10[Ru]%11%1223(C#[O])(C#[O])[Ru]23%13%147(C#[O])(C#[O])C(=O)[Ru]6%10%12%14(C#[O])(C#[O])[Ru]483(C#[O])(C#[O])(C#[O])[Ru]59%11%13(C2=O)(C#[O])C#[O])c1)(c1ccccc1)c1ccccc1 |
| Title of publication | Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand |
| Authors of publication | Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 14 |
| Pages of publication | 3516 |
| a | 9.9103 ± 0.0006 Å |
| b | 12.8948 ± 0.0008 Å |
| c | 14.9814 ± 0.001 Å |
| α | 89.197 ± 0.004° |
| β | 89.266 ± 0.005° |
| γ | 71.65 ± 0.004° |
| Cell volume | 1816.9 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0787 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178647 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58. |
4075852.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075852.cif |
| 50702 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075851, 4075852, 4075853 via cif-deposit CGI script. |
4075852.cif |
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Users of the data should acknowledge the original authors of the
structural data.