Information card for entry 4082874

Structure parameters

• Formula: C23 H22 Cl F3 N2 Pt
• Calculated formula: C23 H22 Cl F3 N2 Pt
• SMILES: [Pt]1([N](CC[N]1(C)C)=Cc1c(Cl)cccc1F)(c1ccc(F)cc1)c1ccc(F)cc1
• 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: 10.17 ± 0.004 Å
• b: 12.456 ± 0.003 Å
• c: 17.525 ± 0.006 Å
• α: 90°
• β: 97.11 ± 0.02°
• γ: 90°
• Cell volume: 2203 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No