Information card for entry 1563765

Structure parameters

• Chemical name: 1,1,1,1-tetrakis {[(2'-(2-furfurylaminoformyl)phenoxyl]methyl }methane Neodymium(III) perchlorate
• Formula: C106 H114 Cl3 N8 Nd O46
• Calculated formula: C106 H108 Cl3 N8 Nd O46
• SMILES: [Nd]([O]=C(NCc1occc1)c1ccccc1OCC(COc1c(C(=O)NCc2occc2)cccc1)(COc1c(C(=O)NCc2occc2)cccc1)COc1c(C(=O)NCc2occc2)cccc1)([O]=C(NCc1occc1)c1c(OCC(COc2c(C(=O)NCc3occc3)cccc2)(COc2c(C(=O)NCc3occc3)cccc2)COc2c(C(=O)NCc3occc3)cccc2)cccc1)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O
• 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: 13.998 ± 0.008 Å
• b: 18.871 ± 0.01 Å
• c: 25.494 ± 0.014 Å
• α: 90.609 ± 0.008°
• β: 99.71 ± 0.009°
• γ: 102.62 ± 0.008°
• Cell volume: 6470 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2462
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No