Information card for entry 7710479

Structure parameters

• Formula: C48 H46 B2 Cl4 F8 Fe N4 P2
• Calculated formula: C48 H46 B2 Cl4 F8 Fe N4 P2
• Title of publication: Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength
• Authors of publication: Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.0025 ± 0.0004 Å
• b: 13.0919 ± 0.0005 Å
• c: 16.8984 ± 0.0005 Å
• α: 85.179 ± 0.001°
• β: 86.803 ± 0.001°
• γ: 85.563 ± 0.002°
• Cell volume: 2415.25 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No