Information card for entry 7709861

Structure parameters

• Formula: C24 H48 B4 N12 Ni O16 S
• Calculated formula: C24 H48 B4 N12 Ni O16 S
• Title of publication: The crystal structure and oxygen reduction reaction of Ni(ii)-complex templated borate-sulfate and borate
• Authors of publication: Xin, Shu-Sheng; Deng, Yan-Ling; Pan, Chun-Yang
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 20.8015 ± 0.0005 Å
• b: 20.8015 ± 0.0005 Å
• c: 9.7315 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4210.84 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No