Information card for entry 7056916

Structure parameters

• Formula: C22 H19 Fe N
• Calculated formula: C22 H19 Fe N
• SMILES: [Fe]12345678([cH]9[cH]3[cH]1[cH]2[cH]49)[c]1(/C=N/c2c3ccccc3ccc2C)[cH]7[cH]6[cH]5[cH]81
• Title of publication: Imine ligands based on ferrocene: synthesis, structural and Mössbauer characterization and evaluation as chromogenic and electrochemical sensors for Hg2+
• Authors of publication: Rosa, Vitor; Gaspari, Ana P. S.; Folgosa, Filipe; Cordas, Cristina M.; Tavares, Pedro; Santos-Silva, Teresa; Barroso, Sónia; Avilés, Teresa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 3334
• a: 20.003 ± 0.004 Å
• b: 7.5328 ± 0.0015 Å
• c: 22.945 ± 0.005 Å
• α: 90°
• β: 108.63 ± 0.03°
• γ: 90°
• Cell volume: 3276.2 ± 1.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No