Information card for entry 7229467

Structure parameters

• Formula: C16 H19 Cu N7 O7
• Calculated formula: C16 H19 Cu N7 O7
• SMILES: [Cu]12([n]3c([nH]c4ccccc34)N(C)[N]1=C(C)c1[n]2cccc1)(ON(=O)=O)[OH]C.N(=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: 9.6735 ± 0.0009 Å
• b: 17.4644 ± 0.0011 Å
• c: 12.1452 ± 0.0013 Å
• α: 90°
• β: 103.407 ± 0.01°
• γ: 90°
• Cell volume: 1995.9 ± 0.3 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No