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Information card for entry 7010602
Preview
| Coordinates | 7010602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H23 Mo2 N O S3 |
|---|---|
| Calculated formula | C15 H23 Mo2 N O S3 |
| SMILES | [Mo]12345678([Mo]9%10%11%12([S]1C)([S]2C)([S]3C)(NC(=[O]4)C)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Acetonitrile hydration versus molybdenum oxidation at the sulfur-rich bimetallic site {MoIII2Cp2(μ-SMe)3}+. Crystal structure of the μ-η1 ∶ η1-amidato complex [Mo2Cp2(μ-MeCONH)(μ-SMe)3] |
| Authors of publication | Schollhammer, Philippe; Le Hénanf, Marc; Le Roy-Le Floch, Christine; Pétillon, François Y.; Talarmin, Jean; Muir, Kenneth W. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 10 |
| Pages of publication | 1573 |
| a | 15.79 ± 0.006 Å |
| b | 13.841 ± 0.005 Å |
| c | 16.717 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3653 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.852 |
| 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 |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010602.cif |
| 179810 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/06. |
7010602.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010602.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010602.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010602.cif |
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