Information card for entry 1514287

Structure parameters

• Formula: C37 H33 Cl5 N2 O2 Pt2 S2
• Calculated formula: C37 H33 Cl5 N2 O2 Pt2 S2
• SMILES: C(Cl)(Cl)Cl.[Pt]1(c2c(c3[n]1cccc3)c1c(cc2)ccc2[Pt](Cl)([S](=O)(c3ccc(cc3)C)C)[n]3c(c12)cccc3)(Cl)[S](=O)(c1ccc(cc1)C)C
• Title of publication: Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
• Authors of publication: Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1915 - 1927
• a: 17.2805 ± 0.0002 Å
• b: 17.2812 ± 0.0002 Å
• c: 12.5128 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3736.67 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.796
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No