Information card for entry 7120498

Structure parameters

• Formula: C36 H22 N2 Pt S2
• Calculated formula: C36 H22 N2 Pt S2
• SMILES: [Pt]12(Sc3c(S1)cc1c4c5c6c7ccccc7ccc6ccc5ccc4ccc1c3)[n]1ccccc1c1[n]2cccc1
• 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: 9.7082 ± 0.0005 Å
• b: 10.502 ± 0.0006 Å
• c: 13.598 ± 0.0009 Å
• α: 85.164 ± 0.005°
• β: 77.659 ± 0.005°
• γ: 88.955 ± 0.004°
• Cell volume: 1349.53 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No