Information card for entry 4074057

Structure parameters

• Formula: C44 H81 Mo N O2 Si2
• Calculated formula: C44 H81 Mo N O2 Si2
• SMILES: [Mo](=NC12CC3CC(C1)CC(C2)C3)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)=CC(C)(C)c1ccccc1
• Title of publication: Synthesis of Molybdenum Imido Alkylidene Complexes That Contain Siloxides
• Authors of publication: Wampler, Keith M.; Schrock, Richard R.; Hock, Adam S.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6674
• a: 30.5622 ± 0.0009 Å
• b: 18.2552 ± 0.0006 Å
• c: 22.2579 ± 0.0007 Å
• α: 90°
• β: 132.751 ± 0.001°
• γ: 90°
• Cell volume: 9118.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No