Information card for entry 7043847

Structure parameters

• Formula: C36 H26 Cl Co N8 O6
• Calculated formula: C36 H26 Cl Co N8 O6
• SMILES: [Co]1234([n]5c(C(=O)N4c4ccccc4[N]3=Nc3ccccc3)cccc5)[N](c3c(N2C(=O)c2[n]1cccc2)cccc3)=Nc1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Low-spin [MII(L)2] and [MIII(L)2]+ (M = Fe and Co) complexes of tridentate azo-containing pyridine/pyrazine amide ligands: structures, properties and redox potential correlations
• Authors of publication: Sengupta, Arunava; Rajput, Amit; Barman, Suman K.; Mukherjee, Rabi
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.648 ± 0.005 Å
• b: 12.329 ± 0.005 Å
• c: 21.462 ± 0.008 Å
• α: 90°
• β: 97.918 ± 0.007°
• γ: 90°
• Cell volume: 3315 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No