Information card for entry 1574536

Structure parameters

• Formula: C38 H27 F3 N2 O3 P Pt
• Calculated formula: C38 H27 F3 N2 O3 P Pt
• SMILES: [Pt]12([O]=P(c3ccccc3)(c3ccccc3)c3ccccc3c3n1c1c(n3)cccc1)[n]1cc(ccc1c1c2cc(OC)cc1)C(F)(F)F
• Title of publication: Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes
• Authors of publication: Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 9135 - 9142
• a: 11.7209 ± 0.0003 Å
• b: 12.2296 ± 0.0003 Å
• c: 12.3631 ± 0.0003 Å
• α: 80.842 ± 0.001°
• β: 74.977 ± 0.001°
• γ: 72.509 ± 0.001°
• Cell volume: 1626.08 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0472
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No