Information card for entry 4117074

Structure parameters

• Formula: C21 H50 Mo N4 Si3
• Calculated formula: C21 H50 Mo N4 Si3
• SMILES: [Mo]123(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)C1CCCCC1
• 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: 20.82 ± 0.006 Å
• b: 20.82 ± 0.006 Å
• c: 11.68 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4385 ± 3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections: 0.1702
• Weighted residual factors for significantly intense reflections: 0.1488
• Goodness-of-fit parameter for all reflections: 1.113
• Goodness-of-fit parameter for significantly intense reflections: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No