Information card for entry 7718664

Structure parameters

• Formula: C38.89 H60.95 Cd2 Cl0.28 I0.72 Mo10 N13.45 O62.31 P V2
• Calculated formula: C38.892 H30.554 Cd2 Cl0.277 I0.723 Mo9.996 N13.446 O47.108 P V2.004
• Title of publication: Dual tuning of nodes and functional guests of polyoxometalate@metal-organic frameworks for enhanced photocatalytic oxidative coupling.
• Authors of publication: Jiang, Zhiqiang; Zhao, Qixin; Zeng, Yang; Gong, Tengfei; Huang, Zhenxuan; Chen, Zeyu; Shen, Jiefeng; Xuan, Weimin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 9338 - 9345
• a: 15.2182 ± 0.0012 Å
• b: 21.5762 ± 0.0014 Å
• c: 25.4191 ± 0.0018 Å
• α: 90°
• β: 97.534 ± 0.004°
• γ: 90°
• Cell volume: 8274.3 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No