Information card for entry 7712353

Structure parameters

• Formula: C17 H11 Br N2 O2 Pt
• Calculated formula: C17 H11 Br N2 O2 Pt
• SMILES: [Pt]12(c3c(c4[n]2cccc4)cccc3)[n]2c(ccc(Br)c2)C(=O)O1
• 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: 7.1788 ± 0.0001 Å
• b: 20.8576 ± 0.0004 Å
• c: 9.8686 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1477.65 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No