Information card for entry 7700722

Structure parameters

• Formula: C22 H40 Cl Mn N8 O9
• Calculated formula: C22 H40 Cl Mn N8 O9
• Title of publication: Mononuclear manganese(iii) complexes with reduced imino nitroxide radicals by single-electron transfer and intermolecular hydrogen bonds as an intramolecular structural driving force.
• Authors of publication: Lecourt, Constance; Madanamoothoo, Warren; Ferreol, Vivian; Bélanger-Desmarais, Nicolas; Khrouz, Lhoussain; Tommasino, Jean-Bernard; Reber, Christian; Desroches, Cédric; Luneau, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13378 - 13387
• a: 7.2158 ± 0.0003 Å
• b: 15.3124 ± 0.001 Å
• c: 27.3569 ± 0.0015 Å
• α: 90°
• β: 94.784 ± 0.005°
• γ: 90°
• Cell volume: 3012.2 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No