Information card for entry 4517543

Structure parameters

• Formula: C48 H46 F6 N O2 P2 Pd Sb
• Calculated formula: C48 H46 F6 N O2 P2 Pd Sb
• Title of publication: Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.
• Authors of publication: Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 8912 - 8918
• a: 12.1515 ± 0.0006 Å
• b: 12.242 ± 0.0007 Å
• c: 16.8588 ± 0.0005 Å
• α: 86.933 ± 0.004°
• β: 70.832 ± 0.004°
• γ: 68.328 ± 0.004°
• Cell volume: 2194.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No