Information card for entry 1559347

Structure parameters

• Formula: C30 H23 Cl F2 N2 Pt
• Calculated formula: C30 H23 Cl F2 N2 Pt
• SMILES: [Pt]1(c2cc(F)cc(F)c2c2[n]1cccc2)(Cl)c1cc(ccc1c1[nH+]c(ccc1)c1ccc(cc1)C)C
• 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: 10.2035 ± 0.0013 Å
• b: 11.6074 ± 0.0013 Å
• c: 11.9285 ± 0.0014 Å
• α: 66.77 ± 0.004°
• β: 69.911 ± 0.004°
• γ: 86.434 ± 0.004°
• Cell volume: 1214.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No