Information card for entry 4084538

Structure parameters

• Formula: C44 H59 B Br F4 Fe N O4 P2
• Calculated formula: C44 H59 B Br F4 Fe N O4 P2
• Title of publication: Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts
• Authors of publication: Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6452
• a: 12.668 ± 0.004 Å
• b: 13.157 ± 0.004 Å
• c: 14.033 ± 0.005 Å
• α: 91.596 ± 0.008°
• β: 108.974 ± 0.007°
• γ: 95.657 ± 0.007°
• Cell volume: 2196.6 ± 1.2 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 9
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No