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Information card for entry 7223444
Preview
Coordinates | 7223444.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C120 H114 N16 O22 Pr2 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7223444.html
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Users of the data should acknowledge the original authors of the
structural data.