Information card for entry 7120497

Structure parameters

• Formula: C42 H44 N2 Pt S2
• Calculated formula: C36 H22 N2 Pt S2
• SMILES: c1c2c(cc3ccc4ccc5ccc6ccc7ccccc7c6c5c4c13)S[Pt]1([n]3c(c4cccc[n]14)cccc3)S2
• Title of publication: Triplet state CPL active helicene-dithiolene platinum bipyridine complexes
• Authors of publication: Biet, Thomas; Cauchy, Thomas; Sun, Qinchao; Ding, Jie; Hauser, Andreas; Oulevey, Patric; Bürgi, Thomas; Jacquemin, Denis; Vanthuyne, Nicolas; Crassous, Jeanne; Avarvari, Narcis
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 21.1835 ± 0.0003 Å
• b: 21.2582 ± 0.0003 Å
• c: 27.7753 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12507.9 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0481
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No