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Information card for entry 4071770
Preview
| Coordinates | 4071770.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 Cl2 Mo2 O3 S3 |
|---|---|
| Calculated formula | C15 H20 Cl2 Mo2 O3 S3 |
| SMILES | C[S]1[Mo]234567(C#[O])([cH]8[cH]2[cH]3[cH]4[cH]58)[S](CCl)[Mo]234517(C#[O])([cH]1[cH]5[cH]4[cH]3[cH]21)[S]6C.[Cl-].O |
| Title of publication | C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN) |
| Authors of publication | Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 16 |
| Pages of publication | 4207 |
| a | 10.8247 ± 0.0007 Å |
| b | 12.9834 ± 0.0005 Å |
| c | 16.0843 ± 0.001 Å |
| α | 90° |
| β | 113.652 ± 0.007° |
| γ | 90° |
| Cell volume | 2070.6 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| 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 |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071770.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071770.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071770.cif |
| 44027 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071770 via cif-deposit CGI script. |
4071770.cif |
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Users of the data should acknowledge the original authors of the
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