Information card for entry 2240043

Structure parameters

• Chemical name: Di-μ-fluorido-bis{tris[(6-methylpyridin-2-yl)methyl)amine}dicobalt(II) bis(tetrafluoridoborate)
• Formula: C42 H48 B2 Co2 F10 N8
• Calculated formula: C42 H48 B2 Co2 F10 N8
• SMILES: [B](F)(F)(F)[F-].C1[N]23Cc4cccc([n]4[Co]43([n]3c(C2)cccc3C)([F][Co]235([F]4)[n]4c(C[N]3(Cc3cccc(C)[n]53)Cc3[n]2c(ccc3)C)cccc4C)[n]2c(C)cccc12)C.[B](F)(F)(F)[F-]
• Title of publication: Crystal structure of a dinuclear Co^II^ complex with bridging fluoride ligands: di-μ-fluorido-bis{tris[(6-methylpyridin-2-yl)methyl]amine}dicobalt(II) bis(tetrafluoridoborate)
• Authors of publication: Inomata, Masataka; Suenaga, Yusaku
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: m359 - m360
• a: 8.7884 ± 0.0017 Å
• b: 11.334 ± 0.004 Å
• c: 11.897 ± 0.002 Å
• α: 64.91 ± 0.05°
• β: 82.04 ± 0.06°
• γ: 87.98 ± 0.07°
• Cell volume: 1062.5 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0703
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes