Information card for entry 7062424

Structure parameters

• Formula: C30 H50 Br2 Mn3 N2 O19
• Calculated formula: C30 H50 Br2 Mn3 N2 O19
• SMILES: [Mn]1234([OH2])Oc5ccc(Br)cc5C=[N]2C(C)(C)C[O]1[Mn]12([O]5[Mn]6([OH2])(Oc7ccc(Br)cc7C=[N]6C(C)(C)C5)([O]=C(O1)C)OC(=[O]2)C)(OC(=[O]3)C)[O]=C(O4)C.O.O.O.O.O
• 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: 10.981 ± 0.005 Å
• b: 11.954 ± 0.005 Å
• c: 17.826 ± 0.005 Å
• α: 100.945 ± 0.005°
• β: 90.352 ± 0.005°
• γ: 108.241 ± 0.005°
• Cell volume: 2176.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1026
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1297
• 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