Information card for entry 7710673

Structure parameters

• Formula: C16 H124 N40 O70 S8 V8
• Calculated formula: C16 H48 N40 O32 S8 V8
• Title of publication: Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions
• Authors of publication: Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.5495 ± 0.0001 Å
• b: 17.5495 ± 0.0001 Å
• c: 15.9061 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4898.84 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No