Information card for entry 7045323

Structure parameters

• Common name: TbL'-OEt
• Formula: C20 H33 N12 O12 Tb
• Calculated formula: C20 H31 N12 O12 Tb
• SMILES: C1C[N]2=Cc3c[nH]c[n]3[Tb]345672([N]1(CC[N]3=Cc1c[nH]c[n]41)C(c1c[nH]c[n]51)OCC)(ON(=[O]7)=O)[O]=N(=O)O6.C(C)O.N(=O)(=O)[O-].O
• Title of publication: A hemiaminal-ether structure stabilized by lanthanide complexes with an imidazole-based Schiff base ligand.
• Authors of publication: Kachi-Terajima, Chihiro; Shimoyama, Takeru; Ishigami, Takahiro; Ikeda, Mari; Habata, Yoichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2638 - 2645
• a: 8.7045 ± 0.0014 Å
• b: 11.7591 ± 0.0019 Å
• c: 16.381 ± 0.004 Å
• α: 105.565 ± 0.003°
• β: 94.096 ± 0.003°
• γ: 111.197 ± 0.002°
• Cell volume: 1479.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No