Information card for entry 7119644

Structure parameters

• Formula: C57.74 H85.74 Mn N6
• Calculated formula: C57.734 H85.734 Mn N6
• Title of publication: Mn(iv) and Mn(v)-radical species supported by the redox non-innocent bis(2-amino-3,5-di-tert-butylphenyl)amine pincer ligand.
• Authors of publication: Leconte, Nicolas; Moutet, Jules; Herasymchuk, Khrystyna; Clarke, Ryan M.; Philouze, Christian; Luneau, Dominique; Storr, Tim; Thomas, Fabrice
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 2764 - 2767
• a: 19.543 ± 0.004 Å
• b: 24.165 ± 0.005 Å
• c: 23.605 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11148 ± 4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No