Information card for entry 7131397

Structure parameters

• Formula: C30 H20 N2 O2 Pt
• Calculated formula: C30 H20 N2 O2 Pt
• SMILES: [Pt]12([n]3c(c4[n]1cccc4)cccc3)Oc1ccc3ccccc3c1c1c3ccccc3ccc1O2
• Title of publication: Aggregation-induced circularly polarized phosphorescence of Pt(II) complexes with an axially chiral BINOL ligand.
• Authors of publication: Tauchi, Daiki; Koida, Taiki; Nojima, Yuki; Hasegawa, Masahi; Mazaki, Yasuhiro; Inagaki, Akiko; Sugiura, Ken-Ichi; Nagaya, Yuki; Tsubaki, Kazunori; Shiga, Takuya; Nagata, Yuuya; Nishikawa, Hiroyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 27
• Pages of publication: 4004 - 4007
• a: 14.959 ± 0.002 Å
• b: 17.171 ± 0.003 Å
• c: 18.707 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4805.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No