Information card for entry 7055677

Structure parameters

• Chemical name: [CeMg1.5(oPDA)3(H2O)3]-3.5H2O
• Formula: C21 H22 Ce Mg1.5 N3 O18.5
• Calculated formula: C21 H18 Ce Mg1.5 N3 O18.5
• Title of publication: Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties
• Authors of publication: Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 7587
• a: 15.6115 ± 0.0009 Å
• b: 15.6115 ± 0.0009 Å
• c: 15.1842 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3204.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 192
• Hermann-Mauguin space group symbol: P 6/m c c
• Hall space group symbol: -P 6 2c
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No