Information card for entry 4084541

Structure parameters

• Formula: C46 H45 B2 F8 Fe N4 O0.5 P2
• Calculated formula: C46 H45 B2 F8 Fe N4 O0.5 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: 11.8424 ± 0.0003 Å
• b: 10.3752 ± 0.0002 Å
• c: 19.0248 ± 0.0004 Å
• α: 90°
• β: 103.524 ± 0.001°
• γ: 90°
• Cell volume: 2272.71 ± 0.09 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No