Information card for entry 4346723

Structure parameters

• Formula: C97 H105 F3 Mn N7 O3 S
• Calculated formula: C97 H105 F3 Mn N7 O3 S
• Title of publication: Photocatalytic Oxygenation of Substrates by Dioxygen with Protonated Manganese(III) Corrolazine.
• Authors of publication: Jung, Jieun; Neu, Heather M.; Leeladee, Pannee; Siegler, Maxime A.; Ohkubo, Kei; Goldberg, David P.; Fukuzumi, Shunichi
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3218 - 3228
• a: 19.9174 ± 0.0005 Å
• b: 21.8922 ± 0.0004 Å
• c: 20.3238 ± 0.0005 Å
• α: 90°
• β: 110.584 ± 0.003°
• γ: 90°
• Cell volume: 8296.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0977
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No