Information card for entry 4114691

Structure parameters

• Formula: C16 H22 Cl F6 N2 P Ru
• Calculated formula: C16 H22 Cl F6 N2 P Ru
• SMILES: [Ru]123456(Cl)([NH2]CC[NH2]1)[c]17[c]6([cH]5[cH]4[cH]3[cH]21)CC1=C(C7)CC=CC1.[P](F)(F)(F)(F)(F)[F-]
• 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 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No