Information card for entry 7102197

Structure parameters

• Common name: C5Me4HScBz2
• Formula: C27 H37 N2 Sc
• Calculated formula: C27 H37 N2 Sc
• SMILES: [Sc]123456([N](c7c(C1)cccc7)(C)C)([N](c1c(C2)cccc1)(C)C)[c]1([c]3([c]4([c]5([cH]61)C)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: 9.493 ± 0.011 Å
• b: 17.612 ± 0.019 Å
• c: 14.571 ± 0.017 Å
• α: 90°
• β: 91.82 ± 0.02°
• γ: 90°
• Cell volume: 2435 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.694
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No