Information card for entry 4517444

Structure parameters

• Formula: C53 H36 N4 O16 S2 Zn2
• Calculated formula: C53 H36 N4 O16 S2 Zn2
• Title of publication: Polar Sulfone-functionalised Oxygen-rich Metal Organic Frameworks for Highly Selective CO2 Capture and Sensitive Detection of Acetylacetone at ppb Level.
• Authors of publication: Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 20.7812 ± 0.001 Å
• b: 16.1138 ± 0.0007 Å
• c: 36.3151 ± 0.0016 Å
• α: 90°
• β: 103.015 ± 0.002°
• γ: 90°
• Cell volume: 11848.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0805
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No