Information card for entry 1562337

Structure parameters

• Formula: C20 H18 Cu N6 O5
• Calculated formula: C20 H18 Cu N6 O5
• Title of publication: Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities
• Authors of publication: Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 215
• Pages of publication: 292 - 299
• a: 23.008 ± 0.002 Å
• b: 9.4363 ± 0.0009 Å
• c: 9.5393 ± 0.0009 Å
• α: 90°
• β: 104.943 ± 0.001°
• γ: 90°
• Cell volume: 2001 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No