Information card for entry 7045184

Structure parameters

• Formula: C34 H38 F9 N2 Nd O6
• Calculated formula: C34 H38 F9 N2 Nd O6
• SMILES: [Nd]1234([O]=C(C(F)(F)F)C=C(O1)C(C)(C)C)(OC(=CC(=[O]3)C(F)(F)F)C(C)(C)C)(OC(=CC(C(F)(F)F)=[O]4)C(C)(C)C)[n]1ccccc1c1[n]2cccc1
• Title of publication: Magnetic anisotropy investigation on light lanthanide complexes.
• Authors of publication: Xu, Mei-Xing; Meng, Yin-Shan; Xiong, Jin; Wang, Bing-Wu; Jiang, Shang-Da; Gao, Song
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1966 - 1971
• a: 9.548 ± 0.0004 Å
• b: 12.2023 ± 0.0005 Å
• c: 17.9158 ± 0.0007 Å
• α: 99.81 ± 0.003°
• β: 103.867 ± 0.003°
• γ: 101.481 ± 0.003°
• Cell volume: 1933.07 ± 0.14 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0641
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No