Information card for entry 7716986

Structure parameters

• Formula: C80 H98 Cu12 N2 O112 P V W11
• Calculated formula: C80 H75.0024 Cu12 N2 O112 P V0.9996 W11.0004
• Title of publication: Encapsulation of the vanadium substituted Keggin polyoxometalates [α-PVW₁₁O₄₀]^4- and [α-PV₂W₁₀O₄₀]^5- in HKUST-1.
• Authors of publication: Orozco, José C; Shuaib, Damola T.; Swenson, LaSalle; Chen, Ying-Pin; Chen, Yu-Sheng; Khan, M. Ishaque
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 38
• Pages of publication: 15913 - 15919
• a: 26.2682 ± 0.0012 Å
• b: 26.2682 ± 0.0012 Å
• c: 26.2682 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18125.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No