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Information card for entry 4074640
Preview
| Coordinates | 4074640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 O4 Ru2 |
|---|---|
| Calculated formula | C36 H36 O4 Ru2 |
| SMILES | [Ru]1234567([Ru]89%10%11(C1=O)(C2=O)(C#[O])[c]1([cH]%11[cH]%10[c]9([cH]81)C(C)(C)C)[C@H]([C@@H]([c]13[cH]7[cH]6[c]5([cH]41)C(C)(C)C)c1ccccc1)c1ccccc1)C#[O].[Ru]1234567([Ru]89%10%11(C1=O)(C2=O)(C#[O])[c]1([cH]%11[cH]%10[c]9([cH]81)C(C)(C)C)[C@@H]([C@H]([c]13[cH]7[cH]6[c]5([cH]41)C(C)(C)C)c1ccccc1)c1ccccc1)C#[O] |
| Title of publication | Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes |
| Authors of publication | Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 5 |
| Pages of publication | 1158 - 1166 |
| a | 11.022 ± 0.004 Å |
| b | 11.305 ± 0.004 Å |
| c | 15.355 ± 0.005 Å |
| α | 98.781 ± 0.006° |
| β | 106.07 ± 0.005° |
| γ | 112.801 ± 0.005° |
| Cell volume | 1620.3 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209914 (current) | 2018-08-18 | cif/4/07/46/ Updating bibliography in entries 4074631-4074640. |
4074640.cif |
| 178635 | 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 4/07/46. |
4074640.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074640.cif |
| 48621 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074631, 4074632, 4074633, 4074634, 4074635, 4074636, 4074637, 4074638, 4074639, 4074640 via cif-deposit CGI script. |
4074640.cif |
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Users of the data should acknowledge the original authors of the
structural data.