Information card for entry 1572588

Structure parameters

• Chemical name: S-MBA.[Pt(ppy)Cl2]
• Formula: C19 H20 Cl2 N2 Pt
• Calculated formula: C19 H20 Cl2 N2 Pt
• SMILES: [Pt]1(c2c(c3[n]1cccc3)cccc2)(Cl)Cl.[C@@H]([NH3+])(c1ccccc1)C
• Title of publication: Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.
• Authors of publication: Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui
• Journal of publication: Materials horizons
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 6089 - 6097
• a: 6.0297 ± 0.0001 Å
• b: 13.0932 ± 0.0003 Å
• c: 23.2882 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1838.56 ± 0.07 ų
• Cell temperature: 100.01 ± 0.19 K
• Ambient diffraction temperature: 100.01 ± 0.19 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: 0.0969
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No