Information card for entry 1563764

Structure parameters

• Formula: C57 H60 Er N7 O24
• Calculated formula: C57 H60 Er N7 O24
• SMILES: [Er]123([O]=C(c4c(cccc4)OCC(COc4c(C(=O)NCc5ccco5)cccc4)(COc4c(C(=O)NCc5ccco5)cccc4)COc4c(C(=O)NCc5ccco5)cccc4)NCc4ccco4)(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)([OH]C)[OH2].CC(=O)C
• Title of publication: Synthesis, structure and luminescence properties of lanthanide complex with a new tetrapodal ligand featuring salicylamide arms
• Authors of publication: Song, Xue-Qin; Wen, Xiao-Guang; Liu, Wei-Sheng; Wang, Da-Qi
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 1
• Pages of publication: 1 - 9
• a: 16.156 ± 0.004 Å
• b: 20.63 ± 0.005 Å
• c: 18.21 ± 0.004 Å
• α: 90°
• β: 91.847 ± 0.004°
• γ: 90°
• Cell volume: 6066 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0894
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No