Information card for entry 7215093

Structure parameters

• Formula: C33 H31 N2 O9 Pr
• Calculated formula: C33 H15 N2 O9 Pr
• Title of publication: Ultrasensitive sorption behavior of isostructural lanthanide‒organic frameworks induced by lanthanide contraction
• Authors of publication: Lin, Zhongjun; Zou, Ruqiang; Xia, Wei; Chen, Liangjie; Wang, Xidong; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua; Burrell, Anthony K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 39
• Pages of publication: 21076
• a: 16.4393 ± 0.0003 Å
• b: 16.4393 ± 0.0003 Å
• c: 23.777 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5564.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.443
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No