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Information card for entry 4069698
Preview
| Coordinates | 4069698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H35 Co2 Mo2 O8 P |
|---|---|
| Calculated formula | C31 H35 Co2 Mo2 O8 P |
| SMILES | C([Mo]12345678([Mo]9%10%11%12%13%14%15%16([Co]%171([Co]29(C8%14OC)(C#[O])(C#[O])C%17=O)([P]3(C1CCCCC1)C1CCCCC1)(C%15=O)(C%16=O)C#[O])[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]4[cH]5[cH]6[cH]71)#[O] |
| Title of publication | Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 5. Heterometallic Clusters Derived from the Neutral Complex [Mo2(η5-C5H5)2(μ-COMe)(μ-PCy2)(μ-CO)] |
| Authors of publication | García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 15 |
| Pages of publication | 4385 |
| a | 9.79 ± 0.002 Å |
| b | 17.122 ± 0.004 Å |
| c | 19.337 ± 0.005 Å |
| α | 90° |
| β | 104.332 ± 0.004° |
| γ | 90° |
| Cell volume | 3140.5 ± 1.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| 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 |
|---|---|---|---|
| 178585 (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 4/06/96. |
4069698.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069698.cif |
| 40397 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069697, 4069698 via cif-deposit CGI script. |
4069698.cif |
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