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Information card for entry 7031743
Preview
Coordinates | 7031743.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H48 Cl8 Cu2 N12 O4 |
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Calculated formula | C52 H48 Cl8 Cu2 N12 O4 |
SMILES | c12c(cc(cc1Cl)Cl)C=[N]1CCCn3c[n](cc3)[Cu]34([N](=Cc5c(c(cc(c5)Cl)Cl)O3)CCCn3c[n]([Cu]51([N](=Cc1c(O5)c(Cl)cc(c1)Cl)CCCn1cncc1)O2)cc3)[N](=Cc1c(O4)c(cc(c1)Cl)Cl)CCCn1cncc1 |
Title of publication | Dinuclear Cu(ii) complexes based on two flexible Schiff-base ligands and one unusual in situ formed diphenolate 2,6-piperidin-4-one derivative. |
Authors of publication | Dai, Yuan; Wang, Yin-Ge; Geng, Jiao; Peng, Yu-Xin; Huang, Wei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 37 |
Pages of publication | 13831 - 13834 |
a | 12.946 ± 0.002 Å |
b | 13.68 ± 0.002 Å |
c | 19.492 ± 0.004 Å |
α | 90° |
β | 114.307 ± 0.002° |
γ | 90° |
Cell volume | 3146 ± 0.9 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.0687 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1533 |
Weighted residual factors for all reflections included in the refinement | 0.1647 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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