Information card for entry 7229470

Structure parameters

• Formula: C18 H19 Cu F6 N5 O7 S2
• Calculated formula: C18 H19 Cu F6 N5 O7 S2
• SMILES: [Cu]12([n]3c([nH]c4ccccc34)N(C)[N]1=C(C)c1[n]2cccc1)(OS(=O)(=O)C(F)(F)F)[OH]C.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 8.0767 ± 0.0003 Å
• b: 11.3717 ± 0.0005 Å
• c: 13.9815 ± 0.0008 Å
• α: 76.3 ± 0.004°
• β: 82.265 ± 0.004°
• γ: 85.663 ± 0.003°
• Cell volume: 1234.98 ± 0.1 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No