Information card for entry 7219336

Structure parameters

• Formula: C94 H180 Cu6 N12 O113 Tb4
• Calculated formula: C94 H127 Cu6 N12 O113 Tb4
• Title of publication: Two series of novel 3D potentially porous heterometallic Cu‒Ln coordination frameworks assembled by 3,4-Pyridinedicarboxylic acid with different topologies and channels: syntheses, structures, luminescence and magnetic properties
• Authors of publication: Liu, Xuan-Wen; Guo, Rui; Liu, He; Yu, Ye-Qi; Qi, Wei Xi; Xu, Jing-Yuan; Xie, Cheng-Zhi
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.934 ± 0.003 Å
• b: 30.722 ± 0.006 Å
• c: 20.494 ± 0.004 Å
• α: 90°
• β: 98.71 ± 0.03°
• γ: 90°
• Cell volume: 8672 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No