Information card for entry 7217395

Structure parameters

• Formula: C48 H4 Co8 K5 N36 O51
• Calculated formula: C48 H4 Co8 K5 N36 O51
• Title of publication: Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net
• Authors of publication: Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 7133
• a: 28.9159 ± 0.0013 Å
• b: 18.0006 ± 0.0012 Å
• c: 28.5482 ± 0.0014 Å
• α: 90°
• β: 110.501 ± 0.005°
• γ: 90°
• Cell volume: 13918.3 ± 1.4 ų
• Cell temperature: 126.1 ± 0.3 K
• Ambient diffraction temperature: 126.1 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216234
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No