Information card for entry 4515828

Structure parameters

• Formula: C2.778 H2.333 Cu0.111 N0.444 O0.778 S0.222
• Calculated formula: C2.77778 H2.33333 Cu0.111111 N0.444444 O0.777778 S0.222222
• Title of publication: Unusual Missing Linkers in an Organosulfonate-Based Primitive‒Cubic (pcu)-Type Metal‒Organic Framework for CO2 Capture and Conversion under Ambient Conditions
• Authors of publication: Zhang, Guiyang; Yang, Huimin; Fei, Honghan
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2519
• a: 22.2892 ± 0.0009 Å
• b: 22.2235 ± 0.0008 Å
• c: 15.7911 ± 0.0007 Å
• α: 90°
• β: 101.936 ± 0.001°
• γ: 90°
• Cell volume: 7652.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0869
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0744
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No