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Information card for entry 7031745
Preview
Coordinates | 7031745.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H54 Cl8 Cu2 N6 O10 |
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Calculated formula | C50 H54 Cl8 Cu2 N6 O10 |
SMILES | c12c(cc(cc2Cl)Cl)[C@@H]2[N]34[Cu]([n]5ccn(c5)CCC[N]56[C@H]7c8c(c(cc(c8)Cl)Cl)O[Cu]6([n]6cn(cc6)CCC4)Oc4c(cc(cc4Cl)Cl)[C@@H]5CC(OC)(OC)C7)(O1)Oc1c(cc(cc1Cl)Cl)[C@@H]3CC(OC)(OC)C2.O.O |
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 | 8.722 ± 0.007 Å |
b | 18.004 ± 0.013 Å |
c | 18.378 ± 0.014 Å |
α | 90° |
β | 99.404 ± 0.01° |
γ | 90° |
Cell volume | 2847 ± 4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1325 |
Residual factor for significantly intense reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.1491 |
Weighted residual factors for all reflections included in the refinement | 0.17 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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