Information card for entry 7236173

Structure parameters

• Formula: C36 H34 Cd3 N6 O21
• Calculated formula: C36 H34 Cd3 N6 O21
• 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: 9.8669 ± 0.0002 Å
• b: 10.425 ± 0.0002 Å
• c: 12.4397 ± 0.0003 Å
• α: 111.316 ± 0.0019°
• β: 102.568 ± 0.0018°
• γ: 93.8625 ± 0.0017°
• Cell volume: 1148.29 ± 0.05 ų
• Cell temperature: 290.56 ± 0.17 K
• Ambient diffraction temperature: 290.56 ± 0.17 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: 0.0352
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No