Information card for entry 7245142

Structure parameters

• Formula: C80 H78 Mo12 N4 Nd O47 P5
• Calculated formula: C80 H78 Mo12 N4 Nd O47 P5
• Title of publication: Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes
• Authors of publication: Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 21.4967 ± 0.0003 Å
• b: 17.7167 ± 0.0003 Å
• c: 27.0552 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10304 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2392
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No