Information card for entry 7206530

Structure parameters

• Formula: C12 H13 Gd N O8.5
• Calculated formula: C9 H3 Gd 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: 10.3604 ± 0.0007 Å
• b: 10.3604 ± 0.0007 Å
• c: 14.5059 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.03 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No