Information card for entry 4346722

Structure parameters

• Formula: C101.53 H116.06 Cl5.06 F9 Mn N7 O11 S3
• Calculated formula: C101.528 H116.056 Cl5.056 F9 Mn N7 O11 S3
• 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: 18.3393 ± 0.0004 Å
• b: 18.9149 ± 0.0003 Å
• c: 21.2275 ± 0.0003 Å
• α: 91.1721 ± 0.0013°
• β: 114.727 ± 0.0017°
• γ: 118.837 ± 0.0019°
• Cell volume: 5625.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No