Information card for entry 4065044

Structure parameters

• Formula: C53.5 H41 B Cl2 F15 N3 Zr
• Calculated formula: C53.5 H41 B Cl2 F15 N3 Zr
• Title of publication: Synthesis and Structure of Bifunctional Zirconocene/Borane Complexes and Their Activation for Ethylene Polymerization
• Authors of publication: Rojas, Rene S.; Peoples, Brian C.; Cabrera, Alan R.; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard; Wiegand, Thomas; Eckert, Hellmut
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 23
• Pages of publication: 6372
• a: 11.6047 ± 0.0002 Å
• b: 13.4178 ± 0.0002 Å
• c: 18.6889 ± 0.0004 Å
• α: 106.894 ± 0.001°
• β: 98.566 ± 0.001°
• γ: 105.265 ± 0.001°
• Cell volume: 2604.86 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No