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Information card for entry 1553269
Preview
Coordinates | 1553269.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H18 Cl Cu N5 O S |
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Calculated formula | C13 H18 Cl Cu N5 O S |
SMILES | [Cu]12(Cl)[n]3cc(ccc3C=[N]1N=C(SC)N2)CN1CCOCC1 |
Title of publication | New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. |
Authors of publication | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2019 |
Journal volume | 62 |
Journal issue | 2 |
Pages of publication | 512 - 530 |
a | 15.7566 ± 0.0011 Å |
b | 14.2967 ± 0.0009 Å |
c | 14.2703 ± 0.001 Å |
α | 90° |
β | 92.971 ± 0.003° |
γ | 90° |
Cell volume | 3210.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.057 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.1125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1553269.html
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Users of the data should acknowledge the original authors of the
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