Information card for entry 7102195

Structure parameters

• Common name: Cp'ScBz2
• Formula: C30 H45 N2 Sc Si
• Calculated formula: C30 H45 N2 Sc Si
• SMILES: [Sc]123456([N](c7c(C1)cccc7)(C)C)([N](c1c(C2)cccc1)(C)C)[c]1([Si](C)(C)C)[c]3([c]4([c]5([c]61C)C)C)C
• Title of publication: Cationic scandium aminobenzyl complexes. Synthesis, structure and unprecedented catalysis of copolymerization of 1-hexene and dicyclopentadiene.
• Authors of publication: Li, Xiaofang; Nishiura, Masayoshi; Mori, Kyouichi; Mashiko, Tomohiro; Hou, Zhaomin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4137 - 4139
• a: 10.299 ± 0.002 Å
• b: 10.594 ± 0.002 Å
• c: 13.624 ± 0.003 Å
• α: 91.641 ± 0.003°
• β: 95.407 ± 0.002°
• γ: 106.911 ± 0.002°
• Cell volume: 1413.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No