Information card for entry 7249946

Structure parameters

• Formula: Cl Cs7.5 H12 N Na0.5 Ni4 O78 P2 W17
• Calculated formula: Cl Cs7.5 H4 N Na0.5 Ni4 O74 P2 W17
• Title of publication: A novel sandwich Ni-added polyoxometalate with nonlinear optical properties and photothermal conversion performance
• Authors of publication: Wang, Zhen-Wen; Wang, Yue-Lin; Yang, Guo-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 1650 - 1656
• a: 21.5884 ± 0.0009 Å
• b: 21.5884 ± 0.0009 Å
• c: 17.7901 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8291.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No