Information card for entry 1570986

Structure parameters

• Formula: C8 H20 F6 N P
• Calculated formula: C8 H20 F6 N P
• Title of publication: Controlling product selectivity during dioxygen reduction with Mn complexes using pendent proton donor relays and added base.
• Authors of publication: Cook, Emma N.; Courter, Ian M.; Dickie, Diane A.; Machan, Charles W.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 4478 - 4488
• a: 8.2349 ± 0.0002 Å
• b: 17.2894 ± 0.0006 Å
• c: 8.9716 ± 0.0003 Å
• α: 90°
• β: 97.378 ± 0.001°
• γ: 90°
• Cell volume: 1266.77 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No