Information card for entry 4517835

Structure parameters

• Formula: C24 H50 B12 N12 Ni O
• Calculated formula: C24 H50 B12 N12 Ni O
• Title of publication: BCN Encapsulated Nano-nickel Synergistically Promotes Ambient Electrochemical Dinitrogen Reduction.
• Authors of publication: Zhao, Xue; Yang, Ziqiong; Kuklin, Artem V.; Baryshnikov, Glib V.; Agren, Hans; Liu, Wenjing; Zhang, Haibo; Zhou, Xiaohai
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 12.0312 ± 0.0002 Å
• b: 17.5337 ± 0.0002 Å
• c: 17.5386 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3699.79 ± 0.09 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No