Information card for entry 7102198

Structure parameters

• Common name: (Cp'ScBz)(B(C6F5)4)
• Formula: C45 H33 B F20 N Sc Si
• Calculated formula: C45 H33 B F20 N Sc Si
• SMILES: [Sc]125678([N](c3c(C2)cccc3)(C)C)([F]c2c([B-](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)c(F)c(F)c(F)c2[F]1)[c]1([Si](C)(C)C)[c]5([c]6([c]7([c]81C)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: 17.823 ± 0.004 Å
• b: 10.479 ± 0.003 Å
• c: 23.866 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4457.2 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No