Information card for entry 7225810

Structure parameters

• Common name: C28 H41.70 N12.40 O18.45 Zn4
• Formula: C28 H41.7 N12.4 O18.45 Zn4
• Calculated formula: C28 H31.2 N12.4 O18.45 Zn4
• Title of publication: An enhanced extended hook method to realize tetranuclear metal clusters embedded in energetic metal‒organic framework channels
• Authors of publication: Xiao, Yu; Wang, Shuai-Hua; Xu, Jian-Gang; Sun, Cai; Li, Rong; Zhao, Ya-Ping; Yan, Yong; Zheng, Fa-Kun; Guo, Guo-Cong
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 31
• Pages of publication: 5803
• a: 14.952 ± 0.002 Å
• b: 14.952 ± 0.002 Å
• c: 9.0826 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2030.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No