Information card for entry 7059086

Structure parameters

• Formula: C172 H171 Ce4 N33 O36
• Calculated formula: C172 H163 Ce4 N33 O36
• Title of publication: Cerium-based M4L4 tetrahedrons containing hydrogen bond groups as functional molecular flasks for selective reaction prompting
• Authors of publication: Zhang, Jing; Yu, Hao; Zhang, Caixia; He, Cheng; Duan, Chunying
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 7
• Pages of publication: 3137
• a: 29.074 ± 0.004 Å
• b: 22.851 ± 0.003 Å
• c: 33.44 ± 0.006 Å
• α: 90°
• β: 112.605 ± 0.002°
• γ: 90°
• Cell volume: 20510 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No