Information card for entry 1551242

Structure parameters

• Formula: C60 H66 B4 Co2 F16 N16 O5
• Calculated formula: C60 H66 B4 Co2 F16 N16 O5
• 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: 21.699 ± 0.009 Å
• b: 12.54 ± 0.004 Å
• c: 15.873 ± 0.008 Å
• α: 90°
• β: 119.63 ± 0.02°
• γ: 90°
• Cell volume: 3754 ± 3 ų
• Cell temperature: 166 ± 2 K
• Ambient diffraction temperature: 166 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No