Information card for entry 4078288

Structure parameters

• Formula: C74 H89 B F20 N4 O2 Sc Si4
• Calculated formula: C74 H70 B F20 N4 O2 Sc Si4
• Title of publication: Unusual Si‒H Bond Activation and Formation of Cationic Scandium Amide Complexes from a Mono(amidinate)-Ligated Scandium Bis(silylamide) Complex and Their Performance in Isoprene Polymerization
• Authors of publication: Chen, Fei; Fan, Shimin; Wang, Yibin; Chen, Jue; Luo, Yunjie
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3730
• a: 12.0543 ± 0.0007 Å
• b: 17.8419 ± 0.0011 Å
• c: 19.6145 ± 0.0012 Å
• α: 83.313 ± 0.005°
• β: 81.325 ± 0.005°
• γ: 79.149 ± 0.004°
• Cell volume: 4078.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No