Information card for entry 7059085

Structure parameters

• Formula: C256 H239 Ce4 N57 O42
• Calculated formula: C256 H219 Ce4 N57 O42
• 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: 42.6162 ± 0.0016 Å
• b: 23.0136 ± 0.0009 Å
• c: 21.8331 ± 0.0008 Å
• α: 90°
• β: 117.46 ± 0.002°
• γ: 90°
• Cell volume: 19000.3 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No