Information card for entry 1557501

Structure parameters

• Formula: C30 H34 Br2 F6 N4 O6 P2 Pt S2
• Calculated formula: C30 H34 Br2 F6 N4 O6 P2 Pt S2
• SMILES: [Pt]12([n]3c(c4[n]2ccc(Br)c4)cc(Br)cc3)[P@@](C)(C(C)(C)C)c2nc3c(nc2[P@@]1(C(C)(C)C)C)cccc3.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis of Platinum-Containing Conjugated Polymers Having QuinoxP* and Bipyridine Ligands. Chirality Transfer from the Phosphine Ligand to the Polymer Backbone
• Authors of publication: Marumoto, Manabu; Sotani, Taichi; Miyagi, Yu; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio
• Journal of publication: Macromolecules
• Year of publication: 2020
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2031 - 2038
• a: 11.5406 ± 0.0002 Å
• b: 18.5416 ± 0.0003 Å
• c: 18.7269 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4007.2 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 9
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No