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Information card for entry 7041054
Preview
Coordinates | 7041054.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H16 Cl Cu N7 O7 S |
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Calculated formula | C11 H16 Cl Cu N7 O7 S |
SMILES | [Cu]12([n]3c(C=[N]2N=C(S1)N)cccc3)[n]1c(=O)[nH]ccc1N.Cl(=O)(=O)(=O)[O-].O.O |
Title of publication | Selectivity of a thiosemicarbazonatocopper(ii) complex towards duplex RNA. Relevant noncovalent interactions both in solid state and solution. |
Authors of publication | Gil-García, Rubén; Ugalde, María; Busto, Natalia; Lozano, Héctor J; Leal, José M; Pérez, Begoña; Madariaga, Gotzon; Insausti, Maite; Lezama, Luis; Sanz, Roberto; Gómez-Sainz, Lidia M; García, Begoña; García-Tojal, Javier |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 46 |
Pages of publication | 18704 - 18718 |
a | 7.164 ± 0.002 Å |
b | 11.561 ± 0.007 Å |
c | 12.416 ± 0.004 Å |
α | 98.38 ± 0.06° |
β | 104.31 ± 0.04° |
γ | 99.69 ± 0.06° |
Cell volume | 963.1 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1752 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for all reflections included in the refinement | 0.1524 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.747 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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