Information card for entry 7108998

Structure parameters

• Formula: C66 H40 B Br F20 Hf N2 O2 P2 S
• Calculated formula: C66 H40 B Br F20 Hf N2 O2 P2 S
• Title of publication: Activation of CO2 by phosphinoamide hafnium complexes
• Authors of publication: Michael J. Sgro; Douglas W. Stephan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2610
• a: 13.8106 ± 0.0006 Å
• b: 16.6203 ± 0.0007 Å
• c: 17.2159 ± 0.0007 Å
• α: 97.123 ± 0.002°
• β: 106.822 ± 0.002°
• γ: 96.886 ± 0.002°
• Cell volume: 3702.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No