Information card for entry 7234121

Structure parameters

• Formula: C33 H29.5 F3 N3 O3 Pt S
• Calculated formula: C33 H29.5 F3 N3 O3 Pt S
• SMILES: C(#[N]c1c(cccc1C)C)[Pt]12c3ccccc3c3cccc(c4cc5c(c[n]24)[C@@H]2C[C@H](C5)C2(C)C)[n]13.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes
• Authors of publication: Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 2350 - 2357
• a: 9.895 ± 0.002 Å
• b: 11.075 ± 0.002 Å
• c: 15.169 ± 0.003 Å
• α: 71.726 ± 0.003°
• β: 83.896 ± 0.004°
• γ: 85.526 ± 0.004°
• Cell volume: 1567.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No