Information card for entry 7710207

Structure parameters

• Formula: C36 H39 B F4 Mn N9 O2
• Calculated formula: C36 H39 B F4 Mn N9 O2
• Title of publication: Impact of counter anions on spin-state switching of manganese(iii) complexes containing an azobenzene ligand
• Authors of publication: Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Sarkar, Debopam; Herchel, Radovan; Mondal, Abhishake
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.1393 ± 0.0004 Å
• b: 23.3849 ± 0.001 Å
• c: 20.7547 ± 0.0009 Å
• α: 90°
• β: 101.029 ± 0.003°
• γ: 90°
• Cell volume: 3877.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0899
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No