Information card for entry 2312848

Structure parameters

• Chemical name: (μ~2~-3,6-Dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato)bis[(dimethylformamide){tris[(pyridin-2-yl)methyl]amine}manganese(II)] bis(tetraphenylborate)–diethyl ether–dimethylformamide (1/0.5/0.5)
• Formula: C111.5 H108.5 B2 Mn2 N10.5 O7
• Calculated formula: C111.5 H108.5 B2 Mn2 N10.5 O7
• Title of publication: Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands.
• Authors of publication: Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 17.5401 ± 0.0012 Å
• b: 38.071 ± 0.003 Å
• c: 31.818 ± 0.002 Å
• α: 90°
• β: 101.261 ± 0.003°
• γ: 90°
• Cell volume: 20838 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1282
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes