Information card for entry 7123978

Structure parameters

• Formula: C168 H276 Cl4 N30 Nb4 O180 S7 V40
• Calculated formula: C108 H36 Cl4 Nb4 O188 S7 V40
• Title of publication: Two polyoxovanadate-based metal-organic polyhedra with undiscovered “Near-miss Johnson Solid” geometry†
• Authors of publication: Gong, Yaru; Tao, Yanli; Xu, Na; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 21.854 ± 0.003 Å
• b: 21.854 ± 0.003 Å
• c: 44.273 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21145 ± 5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 8
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No