Information card for entry 4338158

Structure parameters

• Formula: C34 H26 F6 Fe N10 P
• Calculated formula: C34 H26 F6 Fe N10 P
• SMILES: c1(ccccc1)[N]1=Nc2cccc3[n]2[Fe]241([N](=N3)c1ccccc1)[N](c1ccccc1)=Nc1cccc([n]21)N=[N]4c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 14.521 ± 0.005 Å
• b: 27.079 ± 0.005 Å
• c: 32.807 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 12900 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No