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Information card for entry 4067444
Preview
| Coordinates | 4067444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H33 Mo2 O5 P Ru |
|---|---|
| Calculated formula | C28 H33 Mo2 O5 P Ru |
| SMILES | [Mo]1234567([Mo]89%10%11%12([Ru]1(C#[O])(C#[O])(C#[O])C38)([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]%12[cH]%11[cH]%10[cH]91)(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41 |
| Title of publication | Heterometallic Derivatives of the Unsaturated Methyl-Bridged Complex [Mo2(η5-C5H5)2(μ-CH3)(μ-PCy2)(CO)2]. Photochemical Generation of Methylidyne-Bridged Clusters |
| Authors of publication | Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 4 |
| Pages of publication | 904 |
| a | 9.8055 ± 0.0002 Å |
| b | 10.1325 ± 0.0003 Å |
| c | 15.635 ± 0.0004 Å |
| α | 92.55 ± 0.002° |
| β | 90.46 ± 0.002° |
| γ | 116.682 ± 0.001° |
| Cell volume | 1385.93 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0581 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.236 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178565 (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 4/06/74. |
4067444.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067444.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067444.cif |
| 34203 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067442, 4067443, 4067444, 4067445, 4067446, 4067447 via cif-deposit CGI script. |
4067444.cif |
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Users of the data should acknowledge the original authors of the
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