Information card for entry 4516657

Structure parameters

• Formula: C91 H46 N2 O38 Zr6
• Calculated formula: C91 H46 N2 O38 Zr6
• Title of publication: Zirconium-Based Metal‒Organic Framework with 9-Connected Nodes for Ammonia Capture
• Authors of publication: Chen, Yongwei; Zhang, Xuan; Ma, Kaikai; Chen, Zhijie; Wang, Xingjie; Knapp, Julia; Alayoglu, Selim; Wang, Fenfen; Xia, Qibin; Li, Zhong; Islamoglu, Timur; Farha, Omar K.
• Journal of publication: ACS Applied Nano Materials
• Year of publication: 2019
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 6098
• a: 20.7051 ± 0.0006 Å
• b: 24.9288 ± 0.0008 Å
• c: 63.4039 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 32726.1 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No