Information card for entry 7229468

Structure parameters

• Formula: C16 H19 Br2 Cu N5 O
• Calculated formula: C16 H19 Br2 Cu N5 O
• SMILES: [Cu]12([n]3c([nH]c4ccccc34)N(C)[N]1=C(C)c1[n]2cccc1)(Br)Br.CO
• 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: 9.6841 ± 0.0012 Å
• b: 10.0927 ± 0.0009 Å
• c: 10.4709 ± 0.0009 Å
• α: 91.231 ± 0.007°
• β: 92.328 ± 0.008°
• γ: 117.823 ± 0.011°
• Cell volume: 903.4 ± 0.18 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No