Information card for entry 7709737

Structure parameters

• Formula: C23 H16 N4 O Pt
• Calculated formula: C23 H16 N4 O Pt
• Title of publication: Luminescent cyclometalated alkynylplatinum(II) complexes with 1,3-di(pyrimidin-2-yl)benzene ligands: synthesis, electrochemistry, photophysics and computational studies
• Authors of publication: Hruzd, Mariia; Le Poul, Nicolas; Cordier, Marie; Kahlal, samia; Saillard, Jean-Yves; Achelle, Sylvain; Gauthier, Sebastien; Le Guen, Françoise Robin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 24.768 ± 0.003 Å
• b: 10.8889 ± 0.0013 Å
• c: 13.8726 ± 0.0019 Å
• α: 90°
• β: 92.343 ± 0.006°
• γ: 90°
• Cell volume: 3738.3 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No