Information card for entry 4120573

Structure parameters

• Formula: C13 H18 F6 N8 O7 Pt S2
• Calculated formula: C13 H18 F6 N8 O7 Pt S2
• SMILES: [Pt]([NH3])([NH3])([n]1ccccc1)[n]1cn(c2nc([nH]c(=O)c12)N)C.S(=O)(=O)([O-])C(F)(F)F.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: 24.6325 ± 0.0009 Å
• b: 11.4033 ± 0.0004 Å
• c: 19.3606 ± 0.0007 Å
• α: 90°
• β: 92.399 ± 0.001°
• γ: 90°
• Cell volume: 5433.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No