Information card for entry 7223446

Structure parameters

• Formula: C120 H114 Gd2 N16 O22
• Calculated formula: C120 H114 Gd2 N16 O22
• SMILES: [n]12cccc3c1c1c(ccc[n]1[Gd]145672([O]=C(CCCc2c[nH]c8ccccc28)O1)[O]=C(O[Gd]128([n]9cccc%10ccc%11ccc[n]1c%11c9%10)([O]=C(O2)CCCc1c[nH]c2ccccc12)([O]=C([O]68)CCCc1c[nH]c2ccccc12)([O]5C(=[O]4)CCCc1c[nH]c2ccccc12)[O]=C(O7)CCCc1c[nH]c2ccccc12)CCCc1c[nH]c2ccccc12)cc3.[nH+]1cccc2ccc3c(nccc3)c12.N(=O)(=O)[O-].O.O.[nH+]1cccc2ccc3cccnc3c12.N(=O)(=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: 13.556 ± 0.003 Å
• b: 14.326 ± 0.003 Å
• c: 16.725 ± 0.003 Å
• α: 79.75 ± 0.03°
• β: 71.18 ± 0.03°
• γ: 64.16 ± 0.03°
• Cell volume: 2764.3 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No