Information card for entry 7707682

Structure parameters

• Formula: C12 H30 N24 Ni3 O21 V6
• Calculated formula: C12 H30 N24 Ni3 O21 V6
• Title of publication: Triazole-directed fabrication of polyoxovanadate-based metal-organic frameworks as efficient multifunctional heterogeneous catalysts for the Knoevenagel condensation and oxidation of alcohols.
• Authors of publication: Li, Jikun; Wei, Chuanping; Han, Yinfeng; Mei, Yu; Cheng, Xueli; Huang, Xianqiang; Hu, Changwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 29
• Pages of publication: 10082 - 10091
• a: 9.76 ± 0.0011 Å
• b: 10.5243 ± 0.0012 Å
• c: 11.4568 ± 0.0013 Å
• α: 105.81 ± 0.002°
• β: 91.541 ± 0.002°
• γ: 114.335 ± 0.002°
• Cell volume: 1018.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No