Information card for entry 7707533

Structure parameters

• Formula: C23 H20 Cl F N2 Pt
• Calculated formula: C23 H20 Cl F N2 Pt
• SMILES: c12[Pt]3(Cl)[n]4ccccc4c1c(ccc2c1cc2c(c[n]31)[C@@H]1C[C@H](C2)C1(C)C)F
• Title of publication: Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.
• Authors of publication: Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8938 - 8946
• a: 10.0122 ± 0.0003 Å
• b: 13.875 ± 0.0004 Å
• c: 27.4999 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3820.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0347
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No