Information card for entry 4069612

Structure parameters

• Formula: C84 H41 B Cl2 F28 N2 Ni O2
• Calculated formula: C84 H28 B Cl2 F28 N2 Ni O2
• Title of publication: Nickel(II) and Palladium(II) Polymerization Catalysts Bearing a Fluorinated Cyclophane Ligand: Stabilization of the Reactive Intermediate(1)
• Authors of publication: Popeney, Chris S.; Rheingold, Arnold L.; Guan, Zhibin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4452
• a: 12.01 ± 0.003 Å
• b: 14.126 ± 0.004 Å
• c: 22.928 ± 0.006 Å
• α: 103.802 ± 0.004°
• β: 101.778 ± 0.004°
• γ: 100.135 ± 0.004°
• Cell volume: 3593.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No