Information card for entry 4132821

Structure parameters

• Formula: C13 H5 O16 Zr3
• Calculated formula: C13 H5 O16 Zr3
• Title of publication: A Flexible Metal-Organic Framework with 4-Connected Zr₆ Nodes.
• Authors of publication: Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11179 - 11183
• a: 25.325 ± 0.002 Å
• b: 28.408 ± 0.003 Å
• c: 14.2372 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10242.7 ± 1.8 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 299.99 K
• Number of distinct elements: 4
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.192
• Residual factor for significantly intense reflections: 0.1222
• Weighted residual factors for significantly intense reflections: 0.3282
• Weighted residual factors for all reflections included in the refinement: 0.4042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No