Information card for entry 1551243

Structure parameters

• Formula: C31 H25 B2 Co F8 N6 O
• Calculated formula: C31 H25 B2 Co F8 N6 O
• SMILES: c1ccc2cccc3[N]4=Cc5[n](cccc5)[Co]564([n]4c(C(OC)N5c5cccc7ccc[n]6c57)cccc4)[n]1c23.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution
• Authors of publication: Sánchez-Viveros, José Manuel; Bucio-Ortega, Job; Ortiz-Pastrana, Naytzé; Olguín, Juan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9776
• a: 12.1427 ± 0.0007 Å
• b: 15.5443 ± 0.0009 Å
• c: 19.5164 ± 0.0012 Å
• α: 90°
• β: 106.57 ± 0.002°
• γ: 90°
• Cell volume: 3530.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No