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Information card for entry 4316495
Preview
Coordinates | 4316495.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 Cl2 Cu N4 O3 |
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Calculated formula | C21 H24 Cl2 Cu N4 O3 |
SMILES | [Cu]12(Cl)(Cl)[n]3c(cc(cc3c3[n]2cccc3)OCCN2CCOCC2)c2[n]1cccc2.O |
Title of publication | Two Metals Are Better than One: Investigations on the Interactions between Dinuclear Metal Complexes and Quadruplex DNA |
Authors of publication | Kogularamanan Suntharalingam; Andrew J. P. White; Ramon Vilar |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 8371 - 8380 |
a | 16.01719 ± 0.00019 Å |
b | 14.02884 ± 0.00014 Å |
c | 9.97472 ± 0.00012 Å |
α | 90° |
β | 103.055 ± 0.0012° |
γ | 90° |
Cell volume | 2183.41 ± 0.04 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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