Information card for entry 4120570

Structure parameters

• Formula: C14 H15 Cl F3 N3 O3 Pt S
• Calculated formula: C14 H15 Cl F3 N3 O3 Pt S
• SMILES: [Pt](Cl)([NH3])([n]1c2c(c3ccccc3c1)cccc2)[NH3].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: The chiral potential of phenanthriplatin and its influence on Guanine binding.
• Authors of publication: Johnstone, Timothy C.; Lippard, Stephen J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 2126 - 2134
• a: 12.87 ± 0.0012 Å
• b: 9.8433 ± 0.0009 Å
• c: 28.98 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3671.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No