Information card for entry 4082873

Structure parameters

• Formula: C33 H38 Cl2 F4 Pt2 S2
• Calculated formula: C33 H38 Cl2 F4 Pt2 S2
• SMILES: [Pt]1(S([Pt](S1(CC)CC)(c1ccc(F)cc1)c1ccc(F)cc1)(CC)CC)(c1ccc(F)cc1)c1ccc(F)cc1.ClCCl
• Title of publication: Exploring the Scope of [Pt2(4-FC6H4)4(μ-SEt2)2] as a Precursor for New Organometallic Platinum(II) and Platinum(IV) Antitumor Agents
• Authors of publication: Escolà, Anna; Crespo, Margarita; Quirante, Josefina; Cortés, Roldán; Jayaraman, Anusha; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardía, Mercè; Cascante, Marta
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1740
• a: 9.2594 ± 0.0005 Å
• b: 16.0522 ± 0.0009 Å
• c: 12.3959 ± 0.0007 Å
• α: 90°
• β: 110.711 ± 0.002°
• γ: 90°
• Cell volume: 1723.38 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No