Information card for entry 7229420

Structure parameters

• Formula: C6 H6 N8 Ni O4
• Calculated formula: C6 H6 N8 Ni O4
• Title of publication: The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand
• Authors of publication: Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 79
• Pages of publication: 50150
• a: 14.285 ± 0.002 Å
• b: 8.3073 ± 0.0014 Å
• c: 9.47 ± 0.0016 Å
• α: 90°
• β: 118.178 ± 0.002°
• γ: 90°
• Cell volume: 990.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No