Information card for entry 4126725

Structure parameters

• Formula: C42 H34 O18 Zr3
• Calculated formula: C42 H34 O18 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: 35.2146 ± 0.0009 Å
• b: 19.7752 ± 0.0016 Å
• c: 15.7268 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10951.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No