Information card for entry 7132116

Structure parameters

• Formula: C8 H8 F4 N4 Ni O6.129 W
• Calculated formula: C8 H8 F4 N4 Ni O6.1286 W
• Title of publication: Enhanced CO₂ sorption properties in a polarizable [WO₂F₄]^2--pillared physisorbent under direct air capture conditions.
• Authors of publication: O'Nolan, Daniel; Chatterton, Lindsey; Bellamy, Timothy; Ennis, J. Todd; Soukri, Mustapha
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 9.91785 ± 0.00006 Å
• b: 9.91785 ± 0.00006 Å
• c: 15.71517 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1545.8 ± 0.016 ų
• Ambient diffraction temperature: 300 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 7
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Weighted residual factors for significantly intense reflections: 0.10616
• RFsqd: 0.12662
• Goodness-of-fit parameter for all reflections: 16.026
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54051 Å
• Diffraction radiation type: Kα~1,2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No