Information card for entry 1562338

Structure parameters

• Formula: C H Cu N O
• Calculated formula: C3.53846 H2.76923 Cu0.153846 N0.769231 O0.615385
• 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: 9.7494 ± 0.0018 Å
• b: 9.693 ± 0.002 Å
• c: 21.815 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2061.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No