Information card for entry 1576659

Structure parameters

• Formula: C3.55 H5.2 Cl0.08 Mn0.08 N0.58 O0.33
• Calculated formula: C3.54639 H5.19588 Cl0.0824742 Mn0.0824742 N0.57732 O0.329897
• Title of publication: Unprecedented HAT rate acceleration in water by a non-heme manganese oxo complex.
• Authors of publication: De, Puja; Adabala, Snehith; Samanta, Soumya; Mukhopadhyay, Kuntal; Ghosh, Soumya; Sen Gupta, Sayam
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 4042 - 4049
• a: 13.9931 ± 0.0001 Å
• b: 16.3697 ± 0.0001 Å
• c: 37.9318 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8688.77 ± 0.09 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No