Information card for entry 7700717

Structure parameters

• Formula: C32 H48 B2 N8 Ni
• Calculated formula: C32 H48 B2 N8 Ni
• Title of publication: Synthesis and characterization of bis(pyrazolyl)borate Ni(ii) complexes: ligand rearrangement and transformation.
• Authors of publication: Zhao, Qianyi; Guan, Xin-Ting; Dou, Ting; Cao, Hou-Ji; Ma, Na-Na; Xu, Ting; Gao, Peng-Hui; Kong, Xiao-Hua; Zhang, Jie; Chen, Xuenian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13242 - 13247
• a: 8.8173 ± 0.0004 Å
• b: 24.0412 ± 0.001 Å
• c: 15.2894 ± 0.0009 Å
• α: 90°
• β: 96.95 ± 0.004°
• γ: 90°
• Cell volume: 3217.2 ± 0.3 ų
• Cell temperature: 293.99 ± 0.18 K
• Ambient diffraction temperature: 293.99 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No