Information card for entry 7206535

Structure parameters

• Formula: C13 H12 Gd N O7
• Calculated formula: C13 H12 Gd N O7
• Title of publication: Crystallographic studies into the role of exposed rare earth metal ion for guest sorption
• Authors of publication: Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5849
• a: 10.3008 ± 0.0013 Å
• b: 10.3008 ± 0.0013 Å
• c: 14.385 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1526.3 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No