Information card for entry 4088257

Structure parameters

• Formula: C130 H124 B2 F30 Zr2
• Calculated formula: C130 H124 B2 F30 Zr2
• Title of publication: Discrete Ionic Complexes of Highly Isoselective Zirconocenes. Solution Dynamics, Trimethylaluminum Adducts, and Implications in Propylene Polymerization
• Authors of publication: Theurkauff, Gabriel; Bader, Manuela; Marquet, Nicolas; Bondon, Arnaud; Roisnel, Thierry; Guegan, Jean-Paul; Amar, Anissa; Boucekkine, Abdou; Carpentier, Jean-François; Kirillov, Evgueni
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 258
• a: 11.3858 ± 0.0016 Å
• b: 20.846 ± 0.003 Å
• c: 26.352 ± 0.004 Å
• α: 102.555 ± 0.005°
• β: 90.026 ± 0.005°
• γ: 98.579 ± 0.005°
• Cell volume: 6033.2 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2418
• Residual factor for significantly intense reflections: 0.1367
• Weighted residual factors for significantly intense reflections: 0.3243
• Weighted residual factors for all reflections included in the refinement: 0.3715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No