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Information card for entry 4063472
Preview
| Coordinates | 4063472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H44 B Cl Mo2 S4 |
|---|---|
| Calculated formula | C40 H44 B Cl Mo2 S4 |
| SMILES | C[S]1[Mo]2345678([cH]9[cH]5[cH]4[cH]3[cH]29)[Cl][Mo]234518([cH]1[cH]2[cH]3[cH]4[cH]51)([S]6C)[S]1CC[S]7CC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Carbon‒Sulfur and Carbon‒Halogen Bond Cleavage of Acyclic or Cyclic Thioethers, Thiophenes, and Dihaloalkanes with the Trithiolato-Bridged Cation [Mo2Cp2(μ-SMe)3(MeCN)2]+ |
| Authors of publication | Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 448 - 462 |
| a | 9.4536 ± 0.0005 Å |
| b | 30.7462 ± 0.0012 Å |
| c | 12.7894 ± 0.0006 Å |
| α | 90° |
| β | 90.258 ± 0.004° |
| γ | 90° |
| Cell volume | 3717.4 ± 0.3 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
4063472.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063472.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063472.cif |
| 19536 | 2011-05-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4063468, 4063469, 4063470, 4063471, 4063472 via cif-deposit CGI script. |
4063472.cif |
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Users of the data should acknowledge the original authors of the
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