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Information card for entry 7040193
Preview
Coordinates | 7040193.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H32 N6 O7 Zn |
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Calculated formula | C28 H32 N6 O7 Zn |
SMILES | C1(=O)N(C(=O)C(C(=O)N1)(CC)CC)[Zn]1(N2C(=O)NC(=O)C(C2=O)(CC)CC)[n]2c3c4c(ccc[n]14)ccc3ccc2.O |
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 | 11.9366 ± 0.0005 Å |
b | 12.3076 ± 0.0005 Å |
c | 12.6106 ± 0.0005 Å |
α | 115.369 ± 0.003° |
β | 98.329 ± 0.003° |
γ | 110.595 ± 0.003° |
Cell volume | 1468.21 ± 0.13 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 | 0.0416 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0909 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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