Information card for entry 4120572

Structure parameters

• Formula: C6 H11 Cl F3 N3 O3 Pt S
• Calculated formula: C6 H11 Cl F3 N3 O3 Pt S
• SMILES: [Pt](Cl)([NH3])([NH3])[n]1ccccc1.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: 11.8226 ± 0.0007 Å
• b: 4.9998 ± 0.0003 Å
• c: 23.0652 ± 0.0013 Å
• α: 90°
• β: 101.888 ± 0.001°
• γ: 90°
• Cell volume: 1334.16 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0155
• Residual factor for significantly intense reflections: 0.0143
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No