Information card for entry 4117076

Structure parameters

• Formula: C16 H42 Mo N4 Si3
• Calculated formula: C16 H42 Mo N4 Si3
• SMILES: [Mo]123(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(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: 17.3528 ± 0.0001 Å
• b: 9.6851 ± 0.0002 Å
• c: 15.9445 ± 0.0003 Å
• α: 90°
• β: 110.621 ± 0.001°
• γ: 90°
• Cell volume: 2508 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.1148
• Weighted residual factors for significantly intense reflections: 0.1096
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No