Information card for entry 7033958

Structure parameters

• Formula: C31 H29 Nd2 O18
• Calculated formula: C31 H28 Nd2 O18
• Title of publication: Luminescent lanthanide MOFs based on conjugated 1,1'-ethynebenzene-3,3',5,5'-tetracarboxylate ligand: syntheses, structures and photoluminescent properties.
• Authors of publication: Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming; Zuo, Jing-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5746 - 5754
• a: 14.5952 ± 0.0012 Å
• b: 16.7329 ± 0.0011 Å
• c: 19.5713 ± 0.0014 Å
• α: 90°
• β: 107.344 ± 0.003°
• γ: 90°
• Cell volume: 4562.4 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No