Information card for entry 7712607

Structure parameters

• Chemical name: UTD100
• Formula: C21 H19 Cu N3 O5
• Calculated formula: C21 H19 Cu N3 O5
• Title of publication: Transformation of a copper-based metal-organic polyhedron into a mixed linker MOF for CO₂ capture.
• Authors of publication: Abbas, Muhammad; Maceda, Amanda M.; Xiao, Zhifeng; Zhou, Hong-Cai; Balkus, Jr, Kenneth J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 9.8053 ± 0.0002 Å
• b: 15.594 ± 0.0003 Å
• c: 13.0691 ± 0.0003 Å
• α: 90°
• β: 95.514 ± 0.001°
• γ: 90°
• Cell volume: 1989.07 ± 0.07 ų
• Cell temperature: 112 K
• Ambient diffraction temperature: 112 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No