Information card for entry 7223451

Structure parameters

• Formula: C96 H88 N10 O12 Tb2
• Calculated formula: C96 H88 N10 O12 Tb2
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Tb]123564([O]=C(O1)CCCc1c[nH]c4ccccc14)[O]=C([O]2[Tb]124([O]=C(O3)CCCc3c[nH]c7ccccc37)([n]3cccc7ccc8ccc[n]1c8c37)([O]=C(O2)CCCc1c[nH]c2ccccc12)([O]=C([O]54)CCCc1c[nH]c2ccccc12)OC(=[O]6)CCCc1c[nH]c2ccccc12)CCCc1c[nH]c2ccccc12
• Title of publication: Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid
• Authors of publication: Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 126
• Pages of publication: 104263
• a: 13.766 ± 0.003 Å
• b: 18.43 ± 0.004 Å
• c: 17.19 ± 0.003 Å
• α: 90°
• β: 106.34 ± 0.03°
• γ: 90°
• Cell volume: 4185.1 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No