Information card for entry 1559350

Structure parameters

• Formula: C57 H49 B Cl3 N3 Pt
• Calculated formula: C57 H49 B Cl3 N3 Pt
• SMILES: [Pt]123(c4cc(ccc4c4[n]1cccc4)C)([n]1c(c4c2cc(cc4)C)cccc1)[n]1c(C=C3)ccc(c1)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(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: 13.989 ± 0.003 Å
• b: 14.57 ± 0.003 Å
• c: 14.971 ± 0.003 Å
• α: 66.227 ± 0.006°
• β: 63.842 ± 0.006°
• γ: 67.391 ± 0.006°
• Cell volume: 2425.8 ± 0.9 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: 0.0214
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No