Information card for entry 7710672

Structure parameters

• Formula: C24 H88.5 Cl2 K2 N30 O59.5 V6
• Calculated formula: C24 H40.5 Cl2 K1.9998 N30 O35.5 V6
• 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: 21.034 ± 0.0001 Å
• b: 21.034 ± 0.0001 Å
• c: 21.034 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9306.05 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No