Information card for entry 7057726

Structure parameters

• Formula: C50 H63 Fe O3 P5
• Calculated formula: C50 H63 Fe O3 P5
• Title of publication: Synthesis and catalytic application of [PPP]-pincer iron, nickel and cobalt complexes for the hydrosilylation of aldehydes and ketones
• Authors of publication: Qi, Xinghao; Zhao, Hua; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 16583
• a: 11.509 ± 0.003 Å
• b: 11.656 ± 0.003 Å
• c: 19.386 ± 0.005 Å
• α: 99.039 ± 0.002°
• β: 103.741 ± 0.002°
• γ: 108.331 ± 0.002°
• Cell volume: 2321 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No