Information card for entry 7210313

Structure parameters

• Formula: C42 H42 N4 O8 Yb2
• Calculated formula: C42 H42 N4 O8 Yb2
• SMILES: c12c(cccc1)C=[N]1CC[N]3=Cc4ccccc4[O]4[Yb]513(O2)([O]1c2c(C=[N]3CC[N]6=Cc7c(cccc7)O[Yb]74136[O]=C(C=C(O7)C)C)cccc2)[O]=C(C=C(O5)C)C
• Title of publication: Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand
• Authors of publication: Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 6213
• a: 11.0044 ± 0.0006 Å
• b: 17.2845 ± 0.0004 Å
• c: 11.531 ± 0.0004 Å
• α: 90°
• β: 104.002 ± 0.004°
• γ: 90°
• Cell volume: 2128.09 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No