Information card for entry 4126372

Structure parameters

• Formula: C24.19 H16 Cu D2.92 F6 N4 O6 S2
• Calculated formula: C24.196 H16 Cu D2.928 F6 N4 O6 S2
• Title of publication: Flexible-Robust Metal-Organic Framework for Efficient Removal of Propyne from Propylene.
• Authors of publication: Li, Libo; Lin, Rui-Biao; Krishna, Rajamani; Wang, Xiaoqing; Li, Bin; Wu, Hui; Li, Jinping; Zhou, Wei; Chen, Banglin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 23
• Pages of publication: 7733 - 7736
• a: 27.499 ± 0.005 Å
• b: 14.9307 ± 0.0027 Å
• c: 16.565 ± 0.004 Å
• α: 90°
• β: 110.55 ± 0.012°
• γ: 90°
• Cell volume: 6368 ± 2 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• RFsqd: 0.22463
• Goodness-of-fit parameter for all reflections: 1.25
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.0775 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No