Information card for entry 7223444

Structure parameters

• Formula: C120 H114 N16 O22 Pr2
• Calculated formula: C120 H114 N16 O22 Pr2
• SMILES: c1ccc2ccc3ccc[n]4[Pr]56789([n]1c2c34)([O]=C(CCCc1c[nH]c2ccccc12)O6)[O]=C(CCCc1c[nH]c2ccccc12)[O]7[Pr]123([n]4cccc6ccc7ccc[n]1c7c46)([O]=C(O2)CCCc1c[nH]c2ccccc12)([O]=C([O]83)CCCc1c[nH]c2ccccc12)([O]=C(O9)CCCc1c[nH]c2ccccc12)OC(=[O]5)CCCc1c[nH]c2ccccc12.n1c2c(ccc1)ccc1ccc[nH+]c21.N(=O)(=O)[O-].O.O.O.n1cccc2ccc3ccc[nH+]c3c12.N(=O)(=O)[O-].O
• 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: 13.642 ± 0.003 Å
• b: 14.294 ± 0.003 Å
• c: 16.721 ± 0.003 Å
• α: 79.49 ± 0.03°
• β: 71.27 ± 0.03°
• γ: 64.01 ± 0.03°
• Cell volume: 2772.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0653
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No