Information card for entry 7700905

Structure parameters

• Formula: C34 H44 Br2 Mn3 N4 O12
• Calculated formula: C34 H44 Br2 Mn3 N4 O12
• Title of publication: Exploration of catecholase-like activity of a series of magnetically coupled transition metal complexes of Mn, Co and Ni: new insights into the solution state behavior of Mn complexes.
• Authors of publication: Sarkar, Abani; Chakraborty, Aratrika; Adhikary, Amit; Maity, Suvendu; Mandal, Arnab; Samanta, Debabrata; Ghosh, Prasanta; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14164 - 14177
• a: 11.784 ± 0.002 Å
• b: 9.5219 ± 0.0017 Å
• c: 19.786 ± 0.004 Å
• α: 90°
• β: 107.025 ± 0.006°
• γ: 90°
• Cell volume: 2122.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1239
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No