Information card for entry 7249426

Structure parameters

• Formula: C52 H77 Mo12 N16 Ni2 O50.5 Si
• Calculated formula: C52 H72 Mo12 N16 Ni2 O48 Si
• Title of publication: A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties
• Authors of publication: Gong, Yuan; Liu, Tao; Tian, Aixiang; Ying, Jun; Yang, Mengle
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 12.5205 ± 0.0004 Å
• b: 15.3929 ± 0.0006 Å
• c: 23.5897 ± 0.0008 Å
• α: 90°
• β: 91.987 ± 0.001°
• γ: 90°
• Cell volume: 4543.6 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No