Information card for entry 4341928

Structure parameters

• Formula: C45 H38 N4 O12 Yb2
• Calculated formula: C45 H38 N4 O12 Yb2
• SMILES: c12c3cccc1C=[N]1c4ccccc4[N]4=Cc5cccc6c5[O]5[Yb]78914(Oc1c(cccc1c1[nH]c4c(cccc4)n1)[O]7C)([O]2[Yb]15([O]3C)([O]6C)([O]8c2c(cccc2[O]9C)C=[O]1)([OH2])[OH2])[OH]C
• Title of publication: Near-IR Luminescence and Field-Induced Single Molecule Magnet of Four Salen-type Ytterbium Complexes.
• Authors of publication: Liu, Tian-Qi; Yan, Peng-Fei; Luan, Fang; Li, Yu-Xin; Sun, Jing-Wen; Chen, Chuan; Yang, Fan; Chen, Han; Zou, Xiao-Yan; Li, Guang-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 221 - 228
• a: 22.254 ± 0.005 Å
• b: 15.4 ± 0.003 Å
• c: 21.218 ± 0.004 Å
• α: 90°
• β: 114.68 ± 0.03°
• γ: 90°
• Cell volume: 6607 ± 3 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: 0.1107
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No