Information card for entry 7043845

Structure parameters

• Formula: C36 H26 Co N8 O2
• Calculated formula: C36 H26 Co N8 O2
• SMILES: [Co]1234(N(c5c([N]4=Nc4ccccc4)cccc5)C(=O)c4[n]1cccc4)[n]1c(C(=O)N2c2c([N]3=Nc3ccccc3)cccc2)cccc1
• 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: 12.9608 ± 0.0016 Å
• b: 11.8152 ± 0.0014 Å
• c: 19.486 ± 0.002 Å
• α: 90°
• β: 92.1 ± 0.002°
• γ: 90°
• Cell volume: 2982 ± 0.6 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: 0.0985
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No