Information card for entry 7043394

Structure parameters

• Common name: pFlipH4
• Chemical name: 1,1'-bis-(4-((2-hydroxy-3,5-di-tert-butylphenyl)amino)-phenyl)ferrocene
• Formula: C50 H60 Fe N2 O2
• Calculated formula: C50 H60 Fe N2 O2
• Title of publication: A chelating bis(aminophenol) ligand bridged by a 1,1'-ferrocene-bis(para-phenylene) linker
• Authors of publication: Swanson, Daniel D.; Conner, Kyle M.; Brown, Seth N.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.6212 ± 0.0005 Å
• b: 12.5576 ± 0.0007 Å
• c: 17.8478 ± 0.001 Å
• α: 76.952 ± 0.002°
• β: 82.976 ± 0.003°
• γ: 82.099 ± 0.003°
• Cell volume: 2071.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No