Information card for entry 7239605

Structure parameters

• Formula: C20 H30 Cu2 N8 O14 V5
• Calculated formula: C20 H30 Cu2 N8 O14 V5
• Title of publication: A multicentre synergistic polyoxometalate-based metal‒organic framework for one-step selective oxidative cleavage of β-O-4 lignin model compounds
• Authors of publication: Tian, Hong-Rui; Liu, Yi-Wei; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Xiao-Hui; Sun, Xiu-Wei; Lu, Ying; Liu, Shu-Xia
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 248 - 255
• a: 22.7662 ± 0.0011 Å
• b: 12.1453 ± 0.0005 Å
• c: 24.9282 ± 0.0011 Å
• α: 90°
• β: 98.796 ± 0.002°
• γ: 90°
• Cell volume: 6811.6 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 294.9 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No