Information card for entry 7000684

Structure parameters

• Formula: C12 H12 Er2 N2 O16
• Calculated formula: C12 H12 Er2 N2 O16
• Title of publication: In situ cyclodehydration of iminodiacetic acid into 2,5-diketopiperazine-1,4-diacetate in lanthanide-based coordination polymers
• Authors of publication: Kong, Xiang-Jian; Zhuang, Gui-Lin; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1707 - 1709
• a: 6.6574 ± 0.0015 Å
• b: 7.7517 ± 0.0018 Å
• c: 9.066 ± 0.002 Å
• α: 95.676 ± 0.004°
• β: 110.17 ± 0.003°
• γ: 93.544 ± 0.004°
• Cell volume: 434.71 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No