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Information card for entry 4063659
Preview
| Coordinates | 4063659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H15 N O7 Ru3 |
|---|---|
| Calculated formula | C29 H15 N O7 Ru3 |
| SMILES | [Ru]1234([Ru]56789([Ru]1(C#[O])(C#[O])(C#[O])[C]3(c1ccccc1)=[CH]4[c]16[c]5(c3[n]2cccc3)[c]29[c]8([cH]71)cccc2)(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond |
| Authors of publication | Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 4 |
| Pages of publication | 676 |
| a | 9.7376 ± 0.0015 Å |
| b | 15.292 ± 0.002 Å |
| c | 17.301 ± 0.003 Å |
| α | 90° |
| β | 91.758 ± 0.002° |
| γ | 90° |
| Cell volume | 2575 ± 0.7 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0304 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0536 |
| Weighted residual factors for all reflections included in the refinement | 0.0562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178531 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/36. |
4063659.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063659.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063659.cif |
| 32639 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063655, 4063656, 4063657, 4063658, 4063659, 4063660, 4063661 via cif-deposit CGI script. |
4063659.cif |
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Users of the data should acknowledge the original authors of the
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