Information card for entry 4084539

Structure parameters

• Formula: C57 H58 B Br F4 Fe N2 O2 P2
• Calculated formula: C57 H58 B Br F4 Fe N2 O2 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: 20.4589 ± 0.0007 Å
• b: 17.3014 ± 0.0006 Å
• c: 14.5749 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5159 ± 0.3 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 9
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No