Information card for entry 4338157

Structure parameters

• Formula: C17 H13 Cl2 Fe N5
• Calculated formula: C17 H13 Cl2 Fe N5
• SMILES: [Fe]12(Cl)(Cl)[n]3c(cccc3N=[N]2c2ccccc2)N=[N]1c1ccccc1
• Title of publication: Introducing a new azoaromatic pincer ligand. Isolation and characterization of redox events in its ferrous complexes.
• Authors of publication: Ghosh, Pradip; Samanta, Subhas; Roy, Suman K.; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4678 - 4686
• a: 13.334 ± 0.002 Å
• b: 14.982 ± 0.003 Å
• c: 17.158 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3427.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No