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Information card for entry 7024332
Preview
| Coordinates | 7024332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H22 O12 P2 Ru5 |
|---|---|
| Calculated formula | C39 H22 O12 P2 Ru5 |
| SMILES | [Ru]1234([Ru]5678([Ru]9%10([Ru]%111([Ru]259([P]([CH]8=[CH]7[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[C]46%10%11)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Ligand substitution behavior of Ru(6)(mu(6)-C)(CO)(17) with unsaturated diphosphines: facile capping of a polyhedral face and photochemically promoted P-C bond cleavage in the cluster Ru(6)(mu(6)-C)(CO)(14)(mu(3)-bpcd). |
| Authors of publication | Kandala, Srikanth; Hammons, Casey; Watson, William H.; Wang, Xiaoping; Richmond, Michael G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 6 |
| Pages of publication | 1620 - 1629 |
| a | 23.339 ± 0.004 Å |
| b | 17.157 ± 0.003 Å |
| c | 22.647 ± 0.004 Å |
| α | 90° |
| β | 118.921 ± 0.002° |
| γ | 90° |
| Cell volume | 7938 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0359 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179948 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43. |
7024332.cif |
| 92420 | 2014-01-12 | cif/ Adding structures of 7024331, 7024332, 7024333, 7024334, 7024335, 7024336 via cif-deposit CGI script. |
7024332.cif |
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Users of the data should acknowledge the original authors of the
structural data.