Information card for entry 7709863

Structure parameters

• Formula: C8 H53 B12 N4 Ni2 O35
• Calculated formula: C8 H53 B12 N4 Ni2 O35
• 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: 9.3437 ± 0.0003 Å
• b: 15.1083 ± 0.0006 Å
• c: 28.2743 ± 0.0009 Å
• α: 89.093 ± 0.001°
• β: 85.629 ± 0.001°
• γ: 84.979 ± 0.002°
• Cell volume: 3964.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No