Information card for entry 7236170

Structure parameters

• Formula: C52 H50 N8 Ni5 O30
• Calculated formula: C52 H50 N8 Ni5 O30
• 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: 11.8454 ± 0.00014 Å
• b: 28.3935 ± 0.0003 Å
• c: 34.5364 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11615.7 ± 0.2 ų
• Cell temperature: 291.57 ± 0.1 K
• Ambient diffraction temperature: 291.57 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No