Information card for entry 1559352

Structure parameters

• Formula: C31 H25 Cl3 F2 N2 Pt
• Calculated formula: C31 H25 Cl3 F2 N2 Pt
• SMILES: [Pt]1(c2cc(cc(F)c2c2[n]1cccc2)F)(Cl)[n]1c(c2ccc(cc2)C)cccc1c1ccc(cc1)C.C(Cl)Cl
• Title of publication: Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides
• Authors of publication: Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 11.728 ± 0.0015 Å
• b: 14.9916 ± 0.0019 Å
• c: 16.163 ± 0.002 Å
• α: 90°
• β: 102.038 ± 0.004°
• γ: 90°
• Cell volume: 2779.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0194
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No