Information card for entry 4303324

Structure parameters

• Formula: C22 H28 Cl2 N4 O4 Pt S0.5
• Calculated formula: C22 H25 Cl2 N4 O4 Pt S0.5
• SMILES: [Pt]12(Cl)[n]3c(cc(cc3c3[n]2cccc3)OCCN2CCOCC2)c2cccc[n]12.[Cl-].O=S(C)C.O.O
• 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: 6.8187 ± 0.0002 Å
• b: 26.9591 ± 0.0012 Å
• c: 26.5291 ± 0.0009 Å
• α: 90°
• β: 91.1 ± 0.003°
• γ: 90°
• Cell volume: 4875.8 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No