Information card for entry 4518570

Structure parameters

• Formula: C14 H14 N4 O6 V2 Zn
• Calculated formula: C14 H14 N4 O6 V2 Zn
• Title of publication: Highly Stable Polyoxovanadate-Based Zn‒MOF with Dual Active Sites as a Solvent-free Catalyst for C‒C Bond Formation
• Authors of publication: Tian, Hongrui; Liu, Shumei; Zhang, Zhong; Dang, Tianyi; Lu, Ying; Liu, Shuxia
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2021
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 4660 - 4667
• a: 8.0272 ± 0.0006 Å
• b: 10.3866 ± 0.0008 Å
• c: 21.6398 ± 0.0015 Å
• α: 90°
• β: 95.314 ± 0.003°
• γ: 90°
• Cell volume: 1796.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No