Information card for entry 1551357

Structure parameters

• Formula: C24 H32 F12 Mn N6 Sb2
• Calculated formula: C24 H32 F12 Mn N6 Sb2
• SMILES: c1cccc2[n]1[Mn]13([n]4ccccc4C[N]43[C@H]([C@@H]3CCC[N]13C2)CCC4)([N]#CC)[N]#CC.[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Chemoselective methylene oxidation in aromatic molecules
• Authors of publication: Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White
• Journal of publication: Nature Chemistry
• Year of publication: 2019
• Journal volume: 11
• Pages of publication: 213 - 221
• a: 10.5506 ± 0.0004 Å
• b: 10.5506 ± 0.0004 Å
• c: 25.221 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2431.35 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No