Information card for entry 7130715

Structure parameters

• Formula: C154 H204 N10 Na10 O110 P20 S2 V20 W2
• Calculated formula: C120 H96 Na10 O100 P20 S2 V20 W2
• Title of publication: High-nuclear polyoxovanadates assembled from pentagonal building blocks
• Authors of publication: Zhang, Ting; Hou, Yuhan; Hou, Baoshan; Zhao, Liang; Wang, Xinlong; Qin, Chao; Su, Zhongmin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 38.1926 ± 0.0013 Å
• b: 19.4384 ± 0.0007 Å
• c: 33.8946 ± 0.0018 Å
• α: 90°
• β: 115.419 ± 0.001°
• γ: 90°
• Cell volume: 22727.5 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.02 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No