Information card for entry 4082875

Structure parameters

• Formula: C23 H23 Br F2 N2 Pt
• Calculated formula: C23 H23 Br F2 N2 Pt
• SMILES: [Pt]12(Br)([N](=Cc3c2cccc3)CC[N]1(C)C)(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: 7.6225 ± 0.0006 Å
• b: 33.05 ± 0.003 Å
• c: 8.664 ± 0.0007 Å
• α: 90°
• β: 106.237 ± 0.002°
• γ: 90°
• Cell volume: 2095.6 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.498
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No