Information card for entry 2312843

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}nickel(II)] bis(tetrafluoroborate) acetonitrile 2.5-solvate
• Formula: C59 H53.5 B2 F8 N10.5 Ni2 O4
• Calculated formula: C59 H53.5 B2 F8 N10.5 Ni2 O4
• 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: 10.3788 ± 0.0006 Å
• b: 11.2806 ± 0.0006 Å
• c: 12.8562 ± 0.0006 Å
• α: 74.85 ± 0.003°
• β: 89.905 ± 0.005°
• γ: 84.861 ± 0.003°
• Cell volume: 1446.67 ± 0.13 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: 0.0543
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes