Information card for entry 7713010

Structure parameters

• Chemical name: Mn-tetramer
• Formula: C78 H111 Cl4 Mn4 N12 O32
• Calculated formula: C78 H112.8 Cl4 Mn4 N12 O32
• Title of publication: A tetranuclear Mn-diamond core complex as a functional mimic of both catechol oxidase and phenoxazinone synthase enzymes
• Authors of publication: Kumar, Rakesh; Keshri, Rahul; Prodhan, Koushik; Shaikh, Kanchan; Draksharapu, Apparao
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.6386 ± 0.0011 Å
• b: 14.8042 ± 0.0014 Å
• c: 16.7878 ± 0.0016 Å
• α: 95.953 ± 0.002°
• β: 93.623 ± 0.002°
• γ: 108.608 ± 0.002°
• Cell volume: 2712.3 ± 0.4 ų
• Cell temperature: 100 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: 0.1172
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2078
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No