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Information card for entry 7010556
Preview
Coordinates | 7010556.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H26 Mo S2 |
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Calculated formula | C18 H26 Mo S2 |
SMILES | [Mo]123456789(SS1)([c]1([cH]2[cH]3[cH]4[cH]51)C(C)(C)C)[c]1([cH]6[cH]7[cH]8[cH]91)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 | 10.739 ± 0.003 Å |
b | 13.953 ± 0.003 Å |
c | 12.357 ± 0.002 Å |
α | 90° |
β | 91.8 ± 0.02° |
γ | 90° |
Cell volume | 1850.7 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.064 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0844 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7010556.html
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