Information card for entry 7062425

Structure parameters

• Formula: C35 H54 Br4 Mn3 N2 O17
• Calculated formula: C35 H54 Br4 Mn3 N2 O17
• Title of publication: Unprecedented pseudo-zeroth-order kinetics of the catecholase-like activity of mixed-valence MnIIMn2III complexes
• Authors of publication: Dasgupta, Sanchari; Karim, Suhana; Khatua, Somanjana; Adhikary, Amit; Acharya, Krishnendu; Zangrando, Ennio; Maity, Suvendu; Das, Debasis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 20
• Pages of publication: 9681 - 9691
• a: 8.231 ± 0.0016 Å
• b: 12.816 ± 0.003 Å
• c: 13.335 ± 0.003 Å
• α: 61.78 ± 0.03°
• β: 85.43 ± 0.03°
• γ: 73.33 ± 0.03°
• Cell volume: 1184.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No