Information card for entry 4303323

Structure parameters

• Formula: C27 H36 Cl4 N4 O3 Pt2 S
• Calculated formula: C27 H36 Cl4 N4 O3 Pt2 S
• SMILES: [Pt]12(Cl)[n]3c(cc(cc3c3[n]2cccc3)OCCN2CCCCC2)c2cccc[n]12.[Pt](Cl)(Cl)(Cl)[S](=O)(C)C.O=C(C)C
• Title of publication: Synthesis, Structural Characterization, and Quadruplex DNA Binding Studies of Platinum(II)-Terpyridine Complexes
• Authors of publication: Kogularamanan Suntharalingam; Andrew J. P. White; Ramon Vilar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9427 - 9435
• a: 7.2194 ± 0.0002 Å
• b: 18.498 ± 0.0005 Å
• c: 24.329 ± 0.0008 Å
• α: 90°
• β: 91.323 ± 0.002°
• γ: 90°
• Cell volume: 3248.14 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No