Information card for entry 4063602

Structure parameters

• Formula: C34 H44 B2 F8 O4 P2
• Calculated formula: C34 H44 B2 F8 O4 P2
• Title of publication: Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones
• Authors of publication: Sues, Peter E.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4418
• a: 8.499 ± 0.0006 Å
• b: 9.7576 ± 0.0006 Å
• c: 12.2672 ± 0.0006 Å
• α: 68.306 ± 0.004°
• β: 72.384 ± 0.004°
• γ: 74.079 ± 0.003°
• Cell volume: 885.65 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No