Information card for entry 7240236

Structure parameters

• Formula: C20 H22 N8 Ni O6
• Calculated formula: C20 H22 N8 Ni O6
• Title of publication: Synthesis, crystal structures, HF-EPR, and magnetic properties of six-coordinate transition metal (Co, Ni, and Cu) compounds with a 4-amino-1,2,4-triazole Schiff-base ligand
• Authors of publication: Zhang, Ya-Jie; Yin, Lei; Li, Jing; Hu, Zhao-Bo; Ouyang, Zhong-Wen; Song, You; Wang, Zhenxing
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 12833 - 12840
• a: 9.0895 ± 0.0002 Å
• b: 15.5758 ± 0.0003 Å
• c: 7.7921 ± 0.0002 Å
• α: 90°
• β: 102.169 ± 0.002°
• γ: 90°
• Cell volume: 1078.39 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No