Information card for entry 4114692

Structure parameters

• Formula: C16 H20 Cl F6 N2 P Ru
• Calculated formula: C16 H20 Cl F6 N2 P Ru
• SMILES: [Ru]123456(Cl)([c]78[cH]1[cH]2[cH]3[cH]4[c]57Cc1c(C8)cccc1)[NH2]CC[NH2]6.[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: 11.122 ± 0.0018 Å
• b: 12.576 ± 0.002 Å
• c: 25.593 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3579.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No