Information card for entry 1559346

Structure parameters

• Formula: C27 H27 Cl N2 O Pt
• Calculated formula: C27 H27 Cl N2 O Pt
• SMILES: [PtH]12(Cl)([n]3c(c4c1cc(cc4)C)cccc3)[n]1c(c3c2cc(cc3)C)cccc1.CC(=O)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: 13.4349 ± 0.0007 Å
• b: 10.9885 ± 0.0006 Å
• c: 16.24 ± 0.0008 Å
• α: 90°
• β: 99.696 ± 0.002°
• γ: 90°
• Cell volume: 2363.3 ± 0.2 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: 0.0136
• Residual factor for significantly intense reflections: 0.0119
• Weighted residual factors for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No