Information card for entry 2312842

Structure parameters

• Chemical name: (μ~2~-3,6-Dioxo-2,5-diphenylcyclohexa-1,4-diene-1,4-diolato)bis[{tris[(pyridin-2-yl)methyl]amine}zinc(II)] bis(tetrafluoroborate)–acetonitrile–diethyl ether (1/0.9/0.1)
• Formula: C56.22 H49.75 B2 F8 N8.89 O4.11 Zn2
• Calculated formula: C56.2156 H49.7546 B2 F8 N8.8922 O4.1078 Zn2
• 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: 10.9172 ± 0.0007 Å
• b: 11.0896 ± 0.0007 Å
• c: 12.1795 ± 0.0008 Å
• α: 101.725 ± 0.003°
• β: 105.794 ± 0.003°
• γ: 101.012 ± 0.003°
• Cell volume: 1340.94 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes