Information card for entry 7212561

Structure parameters

• Formula: C12 H18 La N3 O12
• Calculated formula: C12 H14 La N3 O12
• Title of publication: Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid
• Authors of publication: Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2691
• a: 4.5588 ± 0.0002 Å
• b: 11.9018 ± 0.0005 Å
• c: 15.8005 ± 0.0006 Å
• α: 85.912 ± 0.004°
• β: 84.811 ± 0.003°
• γ: 83.249 ± 0.003°
• Cell volume: 846.27 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No