Information card for entry 4135508

Structure parameters

• Formula: C72 H112 Mo4 N12 O36 Zr6
• Calculated formula: C72 H112 Mo4 N12 O36 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: 9.8779 ± 0.0001 Å
• b: 12.4026 ± 0.0002 Å
• c: 19.6503 ± 0.0004 Å
• α: 88.951 ± 0.001°
• β: 78.258 ± 0.001°
• γ: 87.952 ± 0.001°
• Cell volume: 2355.36 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No