Information card for entry 1566706

Structure parameters

• Formula: H66 Mo60 Na8 O187
• Calculated formula: Mo60 Na8 O183
• Title of publication: An Unprecedented Fully Reduced {MoV60} Polyoxometalate: From All-Inorganic Molecular Light-Absorber Model to Improved Photoelectronic Performance
• Authors of publication: Li, xuexin; Ji, Tuo; Gao, Jun-Yang; Chen, Wei-Chao; Yuan, Ye; Sha, Haoyan; Faller, Roland; Shan, Guo-Gang; Shao, Kui-Zhan; Wang, Xinlong; Su, Zhong-Min
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 23.5571 ± 0.0004 Å
• b: 23.5571 ± 0.0004 Å
• c: 61.035 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33870.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No