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Information card for entry 7038849
Preview
Coordinates | 7038849.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C92 H67 Dy3 N20 O6 |
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Calculated formula | C92 H67 Dy3 N20 O6 |
SMILES | c12c3cc(C)cc1C=[N]1CCC[N]4=Cc5c6c(cc(c5)C)C=[N]5CCC[N](=C3)[Dy]37895([n]5c%10c%11c(cccc%11)c5=Nc5c%11c(cccc%11)c(n95)N=c9c5c(cccc5)c([n]89)N=c8c9c(c(=N%10)n38)cccc9)[O]2[Dy]2314([O]67)[O](C)[Dy]145([O]=C(C)O3)([O]2C)[n]2c3c6c(cccc6)c2=Nc2c6c(cccc6)c(n52)N=c2c5c(cccc5)c([n]42)N=c2c4c(c(=N3)n12)cccc4 |
Title of publication | New sandwich-type lanthanide complexes based on closed-macrocyclic Schiff base and phthalocyanine molecules. |
Authors of publication | Gao, Feng; Feng, Xiaowan; Yang, Liu; Chen, Xiaoyu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 17 |
Pages of publication | 7476 - 7482 |
a | 13.2747 ± 0.0015 Å |
b | 20.662 ± 0.002 Å |
c | 28.789 ± 0.003 Å |
α | 82.413 ± 0.002° |
β | 87.565 ± 0.002° |
γ | 88.684 ± 0.001° |
Cell volume | 7818.9 ± 1.4 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0615 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1101 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7038849.html
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structural data.