Information card for entry 7061980

Structure parameters

• Formula: C25 H18 Cl6 N6 Ni
• Calculated formula: C25 H18 Cl6 N6 Ni
• Title of publication: FeII, CoII and NiII complexes based on 1-chloro-3-(pyridin-2-yl)imidazo[1,5-a]pyridine: synthesis, structures, single-molecule magnetic and electrocatalytic properties
• Authors of publication: Zhang, Xiamei; He, Chengying; Yang, Xiaohan; Zhang, Qian; Li, Yahong; Yao, Jinlei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 45
• Pages of publication: 21780 - 21787
• a: 17.4101 ± 0.0012 Å
• b: 11.5808 ± 0.0007 Å
• c: 15.8049 ± 0.0016 Å
• α: 90°
• β: 121.604 ± 0.002°
• γ: 90°
• Cell volume: 2714 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0401
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No