Information card for entry 4126730

Structure parameters

• Formula: C42 H28 O16 Zr3
• Calculated formula: C42 H28 O16 Zr3
• Title of publication: Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.
• Authors of publication: Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 40.313 ± 0.015 Å
• b: 40.313 Å
• c: 16.344 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23003 ± 13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.73
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No