Information card for entry 7103386

Structure parameters

• Formula: C217 H234 F24 N16 O55 P8 Pt4 S8
• Calculated formula: C217 H234 F24 N16 O55 P8 Pt4 S8
• SMILES: [Pt]12([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc(c(cc1)c1cc[n](cc1C(=O)N[C@H](C)C(=O)OC)[Pt]1([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc(c(cc1)c1cc[n](cc1C(=O)N[C@H](C)C(=O)OC)[Pt]1([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc(c(cc1)c1cc[n](cc1C(=O)N[C@H](C)C(=O)OC)[Pt]1([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc(c(cc1)c1cc[n]2cc1C(=O)N[C@H](C)C(=O)OC)C(=O)N[C@H](C)C(=O)OC)C(=O)N[C@H](C)C(=O)OC)C(=O)N[C@H](C)C(=O)OC)C(=O)N[C@H](C)C(=O)OC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C
• Title of publication: Self-assembling squares with amino acid-decorated bipyridines: heterochiral self-sorting of dynamically interconverting diastereomers.
• Authors of publication: Rang, Alexander; Nieger, Martin; Engeser, Marianne; Lützen, Arne; Schalley, Christoph A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 4789 - 4791
• a: 14.955 ± 0.001 Å
• b: 27.472 ± 0.001 Å
• c: 31.536 ± 0.003 Å
• α: 90°
• β: 100.57 ± 0.01°
• γ: 90°
• Cell volume: 12736.5 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No