Information card for entry 7043393

Structure parameters

• Common name: (pFlip)Pd
• Chemical name: (1,1'-bis-(4-(3,5-di-tert-butyl-1,2-iminosemiquinonato)phenyl)-ferrocene)palladium(II)
• Formula: C50 H56 Fe N2 O2 Pd
• Calculated formula: C50 H56 Fe N2 O2 Pd
• 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: 10.725 ± 0.002 Å
• b: 12.172 ± 0.003 Å
• c: 16.726 ± 0.004 Å
• α: 97.02 ± 0.004°
• β: 92.083 ± 0.004°
• γ: 96.151 ± 0.004°
• Cell volume: 2151.9 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.075
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No