Information card for entry 7150361

Structure parameters

• Common name: C36 H34 B2 F8 N6 O1 Pt1
• Formula: C36 H34 B2 F8 N6 O Pt
• Calculated formula: C36 H34 B2 F8 N6 O Pt
• SMILES: [Pt]12([n]3cccc4c3c3c(CC4)c(c4c([n]13)c1c(CC4)ccc[n]21)c1ccc(OC)cc1)[n]1ccc(cc1)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Selective synthesis of U-shaped terpyridines. Versatile ligands for the preparation of platinum complexes.
• Authors of publication: Sielemann, Dirk; Winter, Andreas; Flörke, Ulrich; Risch, Nikolaus
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 863 - 868
• a: 19.275 ± 0.004 Å
• b: 8.415 ± 0.003 Å
• c: 23.953 ± 0.005 Å
• α: 90°
• β: 111.9 ± 0.01°
• γ: 90°
• Cell volume: 3604.8 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No