Information card for entry 7129007

Structure parameters

• Formula: C33 H37 N10 O13 Tb
• Calculated formula: C33 H37 N10 O13 Tb
• SMILES: C1c2[n](c3ccccc3[nH]2)[Tb]23456([N]1(Cc1[n]2c2ccccc2[nH]1)C(c1ccc2ccc7ccc[n]4c7c2[n]31)OC)(ON(=[O]5)=O)ON(=[O]6)=O.CO.CO.CO.N(=O)(=O)[O-]
• Title of publication: Luminescence switch based on the acid/base induced reversibility of covalent bonds in lanthanide(III) complexes
• Authors of publication: Kachi-Terajima, Chihiro; Okubo, Miku; Ikeda, Mari; Habata, Yoichi
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.264 ± 0.007 Å
• b: 12.525 ± 0.008 Å
• c: 15.232 ± 0.01 Å
• α: 82.512 ± 0.01°
• β: 85.717 ± 0.011°
• γ: 87.038 ± 0.01°
• Cell volume: 1934 ± 2 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: 0.0477
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No