Information card for entry 7229472

Structure parameters

• Formula: C34 H33 F6 Fe N11 O6 S2
• Calculated formula: C34 H33 F6 Fe N11 O6 S2
• SMILES: [Fe]1234([n]5c([nH]c6ccccc56)N(C)[N]1=C(C)c1[n]2cccc1)[n]1c([nH]c2ccccc12)N(C)[N]3=C(C)c1[n]4cccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].N#CC
• Title of publication: Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand
• Authors of publication: Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 80
• Pages of publication: 50858
• a: 9.7491 ± 0.0003 Å
• b: 16.1976 ± 0.0004 Å
• c: 24.3248 ± 0.0006 Å
• α: 90°
• β: 95.452 ± 0.002°
• γ: 90°
• Cell volume: 3823.8 ± 0.18 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No