Information card for entry 1550534

Structure parameters

• Common name: 6a
• Chemical name: 6a
• Formula: C52 H54 Mn2 N4 O6
• Calculated formula: C52 H54 Mn2 N4 O6
• 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: 10.4733 ± 0.001 Å
• b: 20.948 ± 0.002 Å
• c: 10.6581 ± 0.0011 Å
• α: 90°
• β: 94.542 ± 0.002°
• γ: 90°
• Cell volume: 2331 ± 0.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No