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Information card for entry 7040194
Preview
Coordinates | 7040194.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H30 Cu N6 O6 |
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Calculated formula | C28 H30 Cu N6 O6 |
SMILES | c1ccc2c3[n]1[Cu]([n]1cccc(c31)cc2)(N1C(=O)C(C(=O)NC1=O)(CC)CC)N1C(=O)C(C(=O)NC1=O)(CC)CC |
Title of publication | Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes with 1,10-phenanthroline and 2,2'-dipyridylamine: synthesis, structures, DNA/BSA binding, nuclease activity, molecular docking, cellular uptake, cytotoxicity and the mode of cell death. |
Authors of publication | Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygun, Muhittin; Aztopal, Nazlihan; Ulukaya, Engin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 25 |
Pages of publication | 10466 - 10479 |
a | 17.3587 ± 0.0011 Å |
b | 18.5081 ± 0.0009 Å |
c | 8.7157 ± 0.0006 Å |
α | 90° |
β | 102.057 ± 0.005° |
γ | 90° |
Cell volume | 2738.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0711 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.0799 |
Weighted residual factors for all reflections included in the refinement | 0.0864 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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