Information card for entry 7047426

Structure parameters

• Formula: C27 H25 F6 Mn N5 O6 S2
• Calculated formula: C27 H25 F6 Mn N5 O6 S2
• Title of publication: Mn^III-Peroxo adduct supported by a new tetradentate ligand shows acid-sensitive aldehyde deformylation reactivity.
• Authors of publication: Denler, Melissa C.; Wijeratne, Gayan B.; Rice, Derek B.; Colmer, Hannah E.; Day, Victor W.; Jackson, Timothy A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13442 - 13458
• a: 13.8379 ± 0.0004 Å
• b: 14.1652 ± 0.0004 Å
• c: 16.3768 ± 0.0004 Å
• α: 90°
• β: 105.211 ± 0.001°
• γ: 90°
• Cell volume: 3097.66 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0295
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No