Information card for entry 7707535

Structure parameters

• Formula: C23 H20 Cl F N2 Pt
• Calculated formula: C23 H20 Cl F N2 Pt
• SMILES: [Pt]12(c3c(c4cccc[n]24)c(F)ccc3c2[n]1cc1c(c2)C[C@@H]2C[C@H]1C2(C)C)Cl
• 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: 7.1917 ± 0.0007 Å
• b: 18.1841 ± 0.0017 Å
• c: 14.8761 ± 0.0014 Å
• α: 90°
• β: 99.525 ± 0.005°
• γ: 90°
• Cell volume: 1918.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193.01 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No