Information card for entry 1569510

Structure parameters

• Common name: JLSI173
• Formula: C12 H15 F12 Mn0.5 N2 O2
• Calculated formula: C12 H15 F12 Mn0.5 N2 O2
• Title of publication: HAA by the first {Mn(iii)OH} complex with all O-donor ligands.
• Authors of publication: Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 30
• Pages of publication: 8187 - 8195
• a: 21.074 ± 0.003 Å
• b: 8.3424 ± 0.0008 Å
• c: 20.453 ± 0.002 Å
• α: 90°
• β: 105.829 ± 0.005°
• γ: 90°
• Cell volume: 3459.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No