Information card for entry 7219499

Structure parameters

• Formula: C58 H45.33 N2 O36.17 Zn8
• Calculated formula: C58 H21 N2 O36.1667 Zn8
• Title of publication: Predicting and creating 7-connected Zn4O vertices for the construction of an exceptional metal‒organic framework with nanoscale cages
• Authors of publication: Bai, Shizhe; Zhang, Weiquan; Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Weng, Linhong; Zhou, Yaming
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 1923
• a: 52.623 ± 0.003 Å
• b: 52.623 ± 0.003 Å
• c: 52.623 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 145723 ± 14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.3012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No