Information card for entry 1551241

Structure parameters

• Formula: C26 H20 B2 F8 Fe N8
• Calculated formula: C26 H20 B2 F8 Fe N8
• SMILES: c1ccc2cccc3[N]4=Cc5[n]([nH]cc5)[Fe]564([n]1c23)[n]1cccc2cccc([N]5=Cc3[n]6[nH]cc3)c12.[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: 16.375 ± 0.003 Å
• b: 12.327 ± 0.003 Å
• c: 17.399 ± 0.004 Å
• α: 90°
• β: 102.25 ± 0.03°
• γ: 90°
• Cell volume: 3432.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No