Information card for entry 1550533

Structure parameters

• Common name: 1a
• Chemical name: 1a
• Formula: C36 H72 Mn4 O16
• Calculated formula: C36 H68.8 Mn4 O16
• Title of publication: Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters
• Authors of publication: Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.1248 ± 0.0013 Å
• b: 14.1447 ± 0.0015 Å
• c: 14.1468 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2426.2 ± 0.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No