Information card for entry 4340365

Structure parameters

• Formula: C27 H15 O17 Zr3
• Calculated formula: C27 H15 O16 Zr3
• Title of publication: Porous Zirconium Metal-Organic Framework Constructed from 2D \ρightarrow 3D Interpenetration Based on a 3,6-Connected kgd Net.
• Authors of publication: Wang, Rongming; Wang, Zhiying; Xu, Yuwen; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7086 - 7088
• a: 34.4985 ± 0.0014 Å
• b: 34.4985 ± 0.0014 Å
• c: 20.3429 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24211 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No