Information card for entry 4515195

Structure parameters

• Formula: C66 H34 N12 Ni4 O3
• Calculated formula: C66 H34 N12 Ni4 O3
• Title of publication: Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks
• Authors of publication: Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong
• Journal of publication: ACS Materials Letters
• Year of publication: 2019
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 20
• a: 28.7935 ± 0.0002 Å
• b: 28.7935 ± 0.0002 Å
• c: 21.0494 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17451.3 ± 0.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.3317
• Weighted residual factors for all reflections included in the refinement: 0.3406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No