Information card for entry 4123593

Structure parameters

• Formula: C119.16 H128.44 Cl0.78 Mn N7.89 O P
• Calculated formula: C119.162 H128.437 Cl0.781 Mn N7.8855 O P
• Title of publication: Strong Inhibition of O-Atom Transfer Reactivity for Mn(IV)(O)(π-Radical-Cation)(Lewis Acid) versus Mn(V)(O) Porphyrinoid Complexes.
• Authors of publication: Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 20
• Pages of publication: 6531 - 6540
• a: 22.6324 ± 0.0003 Å
• b: 23.4125 ± 0.0003 Å
• c: 23.4458 ± 0.0004 Å
• α: 118.407 ± 0.0015°
• β: 98.4848 ± 0.0013°
• γ: 93.6179 ± 0.0011°
• Cell volume: 10680.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2439
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No