Information card for entry 4126724

Structure parameters

• Formula: C80 H64 N4 O32 Zr6
• Calculated formula: C80 H64 N4 O32 Zr6
• 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: 35.1569 ± 0.0004 Å
• b: 20.1235 ± 0.0006 Å
• c: 15.6584 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11078 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No