Information card for entry 7104530

Structure parameters

• Formula: C14 H31 B2 O Sc
• Calculated formula: C14 H31 B2 O Sc
• Title of publication: Unprecedented dual behaviour of a half-sandwich scandium-based initiator for both highly selective isoprene and styrene polymerisation.
• Authors of publication: Bonnet, Fanny; Da Costa Violante, Cristina; Roussel, Pascal; Mortreux, André; Visseaux, Marc
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 3380 - 3382
• a: 13.8226 ± 0.0004 Å
• b: 8.066 ± 0.0002 Å
• c: 7.6377 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 851.55 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No