Information card for entry 7245612

Structure parameters

• Formula: C44 H102 Mo12 N2 O68 P9 Pr
• Calculated formula: C44 H102 Mo12 N2 O68 P9 Pr
• Title of publication: Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes
• Authors of publication: Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.7418 ± 0.0014 Å
• b: 14.678 ± 0.0015 Å
• c: 27.787 ± 0.003 Å
• α: 100.421 ± 0.003°
• β: 95.337 ± 0.002°
• γ: 114.467 ± 0.005°
• Cell volume: 4928.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1991
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2319
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No