Information card for entry 7060609

Structure parameters

• Formula: C15.5 H13.5 Cl2.5 O3 Pt S
• Calculated formula: C15.5 H13.5 Cl2.5 O3 Pt S
• SMILES: [Pt]1([S](=O)(C)C)(Cl)[O]=C2c3c4c(C=C2)cccc4ccc3O1.ClC(Cl)Cl
• Title of publication: Phenalenyl based platinum anticancer compounds with superior efficacy: design, synthesis, characterization, and interaction with nuclear DNA
• Authors of publication: Dutta, Pradip; Kumari, Smita; Paulraj, Justin; Sharma, Rupali; Vijaykumar, Gonela; Sankar Das, Hari; P, Sreejyothi; Sil, Swagata; Mandal, Swadhin K.; Sengupta, Aniruddha; Sarkar, Arindam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 10524 - 10533
• a: 13.4285 ± 0.0007 Å
• b: 15.7599 ± 0.0009 Å
• c: 16.4621 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3483.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No