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CIF Information Card
Information card for 4114691
4114690 << 4114691 >> 4114692Preview
|
Coordinates |
4114691.cif |
Structure parameters
| Formula | - C16 H22 Cl F6 N2 P Ru - |
| Calculated formula | - C16 H22 Cl F6 N2 P Ru - |
| Title of publication | Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts |
| Authors of publication | Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 3064 - 3082 |
| a | 12.171 ± 0.003 Å |
| b | 8.4733 ± 0.0018 Å |
| c | 18.946 ± 0.004 Å |
| α | 90° |
| β | 103.854 ± 0.003° |
| γ | 90° |
| Cell volume | 1897 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.025 |
| Residual factor for observed reflections | 0.023 |
| Weighted residual factors for the observed reflections | 0.0616 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for observed reflections | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |