Information card for entry 7712354

Structure parameters

• Formula: C34 H20 Br2 F2 N4 O4 Pt2
• Calculated formula: C34 H20 Br2 F2 N4 O4 Pt2
• SMILES: [Pt]12(c3cc(cc(c3c3[n]2cccc3)F)F)OC(=O)c2[n]1cc(Br)cc2.[Pt]12(c3c(c4[n]1cccc4)cccc3)OC(=O)c1[n]2cc(Br)cc1
• 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: 18.1002 ± 0.0006 Å
• b: 7.8365 ± 0.0002 Å
• c: 20.7171 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2938.56 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No