Information card for entry 4117077

Structure parameters

• Formula: C16 H39 F3 Mo N4 O3 S Si3
• Calculated formula: C16 H39 F3 Mo N4 O3 S Si3
• SMILES: [Mo]123(OS(=O)(=O)C(F)(F)F)N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C
• Title of publication: Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes
• Authors of publication: Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 11876 - 11893
• a: 20.951 ± 0.004 Å
• b: 10.999 ± 0.002 Å
• c: 12.05 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2776.8 ± 0.9 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections: 0.1542
• Weighted residual factors for significantly intense reflections: 0.1068
• Goodness-of-fit parameter for all reflections: 0.996
• Goodness-of-fit parameter for significantly intense reflections: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No