Information card for entry 4063601

Structure parameters

• Formula: C20 H28 O3.5 P
• Calculated formula: C20 H28 O3.5 P
• 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: 6.3111 ± 0.0004 Å
• b: 11.5719 ± 0.0011 Å
• c: 13.4959 ± 0.0015 Å
• α: 93.032 ± 0.004°
• β: 90.081 ± 0.006°
• γ: 103.146 ± 0.006°
• Cell volume: 958.36 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No