Information card for entry 4126723

Structure parameters

• Formula: C40 H30 O18 Zr3
• Calculated formula: C40 H30 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: 18.7781 ± 0.001 Å
• b: 35.2745 ± 0.0008 Å
• c: 16.0212 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10612.3 ± 0.6 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: 0.059
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No