Information card for entry 4083858

Structure parameters

• Formula: C43 H46 Fe P4
• Calculated formula: C43 H46 Fe P4
• SMILES: [Fe]123([P](c4ccccc4)(c4ccccc4)c4c(C2c2ccccc2[P]1(c1c3cccc1)c1ccccc1)cccc4)([P](C)(C)C)[P](C)(C)C
• Title of publication: Synthesis and Catalytic Property of Iron Pincer Complexes Generated by Csp3‒H Activation
• Authors of publication: Zhao, Hua; Sun, Hongjian; Li, Xiaoyan
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140701152748009
• a: 10.094 ± 0.002 Å
• b: 12.59 ± 0.003 Å
• c: 17.33 ± 0.004 Å
• α: 99.45 ± 0.03°
• β: 93.59 ± 0.03°
• γ: 111.4 ± 0.03°
• Cell volume: 2004.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2054
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No