Information card for entry 1567785

Structure parameters

• Formula: C62 H62 Mn N8 O26
• Calculated formula: C62 H62 Mn N8 O26
• SMILES: C(=O)(c1c(c(cc(c1)C(C)(C)c1cc(c(c(c1)C(=O)[O-])O)C(=O)O)C(=O)O)O)[O-].n1(cc[n]([Mn]([OH2])([n]2ccn(c3cccc(n4cc[nH+]c4)c3)c2)([OH2])([OH2])[OH2])c1)c1cc(n2cc[nH+]c2)ccc1.O.C(=O)(c1c(c(cc(c1)C(C)(C)c1cc(c(c(c1)C(=O)[O-])O)C(=O)O)C(=O)O)O)[O-].O
• Title of publication: Interfacing MnO and FeCo alloy inside N-doped carbon hierarchical porous nanospheres derived from metal-organic framework boosts high-performance oxygen reduction for Zn–air batteries
• Authors of publication: Duan, Xinde; Xia, Minqi; Hu, Xixi; Yang, Lijun; Zheng, Hegen
• Journal of publication: Nanoscale
• Year of publication: 2022
• a: 7.5317 ± 0.0019 Å
• b: 14.206 ± 0.003 Å
• c: 14.536 ± 0.003 Å
• α: 107.443 ± 0.006°
• β: 92.616 ± 0.007°
• γ: 94.61 ± 0.008°
• Cell volume: 1475 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No