Information card for entry 7043844

Structure parameters

• Formula: C34 H24 Co N10 O2
• Calculated formula: C34 H24 Co N10 O2
• SMILES: [Co]1234([n]5c(cncc5)C(=O)N1c1ccccc1[N]4=Nc1ccccc1)[n]1c(C(=O)N2c2ccccc2[N]3=Nc2ccccc2)cncc1
• 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: 12.589 ± 0.005 Å
• b: 12.286 ± 0.005 Å
• c: 19.148 ± 0.005 Å
• α: 90°
• β: 91.931 ± 0.005°
• γ: 90°
• Cell volume: 2959.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No