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Information card for entry 7039799
Preview
Coordinates | 7039799.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 Cl2 N2 O Ru S2 |
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Calculated formula | C23 H26 Cl2 N2 O Ru S2 |
SMILES | [Ru]12345(Cl)(Cl)([S]=C(NC(=O)c6sccc6)Nc6c(cccc6)C)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C |
Title of publication | Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies. |
Authors of publication | Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 31 |
Pages of publication | 12518 - 12531 |
a | 10.035 ± 0.002 Å |
b | 10.272 ± 0.002 Å |
c | 12.006 ± 0.002 Å |
α | 79.528 ± 0.002° |
β | 80.344 ± 0.002° |
γ | 85.73 ± 0.002° |
Cell volume | 1198.5 ± 0.4 Å3 |
Cell temperature | 110.15 K |
Ambient diffraction temperature | 110.15 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0323 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0769 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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