Information card for entry 2240317

Structure parameters

• Chemical name: [3-(1<i>H</i>-Benzimidazol-2-yl)propanoato-κ<i>N</i>^3^][3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid-κ<i>N</i>^3^]copper(I)
• Formula: C20 H19 Cu N4 O4
• Calculated formula: C20 H19 Cu N4 O4
• Title of publication: Crystal structure of [3-(1<i>H</i>-benzimidazol-2-yl)propanoato-κ<i>N</i>^3^][3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid-κ<i>N</i>^3^]copper(I)
• Authors of publication: Liu, Zhimin; Zheng, Shengrun; Feng, Sisi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: m5 - m6
• a: 21.137 ± 0.005 Å
• b: 6.4979 ± 0.0014 Å
• c: 16.235 ± 0.004 Å
• α: 90°
• β: 121.949 ± 0.002°
• γ: 90°
• Cell volume: 1892 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes