Information card for entry 7712352

Structure parameters

• Formula: C17 H9 Br F2 N2 O2 Pt
• Calculated formula: C17 H9 Br F2 N2 O2 Pt
• SMILES: [Pt]12(c3cc(F)cc(F)c3c3[n]2cccc3)OC(=O)c2[n]1cc(Br)cc2
• Title of publication: Elastic and bright assembly-induced luminescent crystal of platinum(II) complexes with near-unity emission quantum yield
• Authors of publication: Makino, Yusuke; Yoshida, Masaki; Hayashi, Shotaro; Sasaki, Toshiyuki; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 4.2648 ± 0.0002 Å
• b: 9.6408 ± 0.0004 Å
• c: 18.7288 ± 0.0007 Å
• α: 91.577 ± 0.003°
• β: 91.691 ± 0.004°
• γ: 97.222 ± 0.004°
• Cell volume: 763.23 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No