Information card for entry 7240568

Structure parameters

• Formula: C20 H54 N8 Ni2 O38 V10
• Calculated formula: C20 H54 N8 Ni2 O38 V10
• Title of publication: Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions
• Authors of publication: Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 11.876 ± 0.0009 Å
• b: 12.2282 ± 0.0011 Å
• c: 17.4796 ± 0.0014 Å
• α: 90°
• β: 101.696 ± 0.003°
• γ: 90°
• Cell volume: 2485.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No