Information card for entry 7710203

Structure parameters

• Formula: C34 H36 Cl Mn N8 O2
• Calculated formula: C34 H36 Cl Mn N8 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: 7.5907 ± 0.0002 Å
• b: 8.1774 ± 0.0002 Å
• c: 25.5929 ± 0.0006 Å
• α: 90°
• β: 90.031 ± 0.001°
• γ: 90°
• Cell volume: 1588.61 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No