Information card for entry 2312844

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}ruthenium(II)] dichloride–methanol–water (1/5.5/0.5)
• Formula: C59.5 H69 Cl2 N8 O10 Ru2
• Calculated formula: C59.5 H69 Cl1.999 N8 O10 Ru2
• 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: 8.8588 ± 0.0007 Å
• b: 18.8289 ± 0.0014 Å
• c: 20.4271 ± 0.0015 Å
• α: 76.672 ± 0.004°
• β: 87.948 ± 0.004°
• γ: 80.721 ± 0.004°
• Cell volume: 3272.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes