Information card for entry 7245780

Structure parameters

• Formula: C60 Cu6 Mn0 Mo18 N12 O67 Si
• Calculated formula: C60 Cu6 Mo18 N12 O67 Si
• Title of publication: A Keggin-type polyoxomolybdate-based crystalline material formed by hydrothermal transformation: photo/electro-catalytic properties and mechanism study
• Authors of publication: Wang, Peisen; Chishti, Aadil Nabi; Chen, Peng; Lv, Zengxiang; Tan, Yaya; Zhang, Hanzhi; Zha, Junjie; Ma, Zhiyuan; Ni, Lubin; Zhang, Lu-nan; Wei, Yongge
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.9435 ± 0.0008 Å
• b: 20.0147 ± 0.0012 Å
• c: 17.2063 ± 0.0011 Å
• α: 90°
• β: 93.972 ± 0.002°
• γ: 90°
• Cell volume: 4790.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No