Information card for entry 4126731

Structure parameters

• Formula: C44.67 H44 O16.67 Zr3
• Calculated formula: C41.3332 H25.3332 O16.671 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: 40.4113 ± 0.0011 Å
• b: 40.4113 ± 0.0011 Å
• c: 15.6898 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22189.8 ± 1.2 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: 0.0594
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No