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Information card for entry 7010565
Preview
Coordinates | 7010565.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H36 Mo S2 |
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Calculated formula | C30 H36 Mo S2 |
SMILES | S(c1ccccc1)[Mo]12345678(Sc9ccccc9)([c]9([cH]1[cH]3[cH]5[cH]79)C(C)(C)C)[c]1([cH]2[cH]4[cH]6[cH]81)C(C)(C)C |
Title of publication | The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts |
Authors of publication | Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 11 |
Pages of publication | 1732 |
a | 21.214 ± 0.007 Å |
b | 7.089 ± 0.001 Å |
c | 18.633 ± 0.003 Å |
α | 90° |
β | 102.45 ± 0.02° |
γ | 90° |
Cell volume | 2736.2 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0341 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0712 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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