Information card for entry 7236172

Structure parameters

• Formula: C45 H30 N6 O19 Zn3
• Calculated formula: C45 H30 N6 O19 Zn3
• Title of publication: Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units
• Authors of publication: Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 42
• Pages of publication: 8182
• a: 9.67809 ± 0.00016 Å
• b: 10.27573 ± 0.00015 Å
• c: 11.9152 ± 0.0002 Å
• α: 112.179 ± 0.0015°
• β: 101.863 ± 0.0014°
• γ: 93.0017 ± 0.0013°
• Cell volume: 1062.75 ± 0.03 ų
• Cell temperature: 288.53 ± 0.1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No