Information card for entry 4135511

Structure parameters

• Formula: C66 H54 Br12 N6 O20 Pd5 Zr6
• Calculated formula: C66 H54 Br12 N6 O20 Pd5 Zr6
• Title of publication: Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i>₅₁) Nonanuclear Zr-Oxocarboxylate Clusters.
• Authors of publication: Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 2
• Pages of publication: 657 - 663
• a: 15.1229 ± 0.0003 Å
• b: 20.0995 ± 0.0004 Å
• c: 25.5356 ± 0.0004 Å
• α: 76.234 ± 0.002°
• β: 79.884 ± 0.001°
• γ: 68.246 ± 0.002°
• Cell volume: 6969 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No