Information card for entry 4334895

Structure parameters

• Formula: C77 H81 Cl15 F6 N6 O6 Pt2 S5
• Calculated formula: C77 H81 Cl15 F6 N6 O6 Pt2 S5
• SMILES: c1(ccsc1c1ccc(c2c(ccs2)C#C[Pt]23[n]4ccc(cc4c4cc(cc(c5cc(cc[n]35)C(C)(C)C)[n]24)C(C)(C)C)C(C)(C)C)s1)C#C[Pt]12[n]3ccc(cc3c3cc(cc(c4cc(cc[n]24)C(C)(C)C)[n]13)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: A Terthiophene-Containing Alkynylplatinum Terpyridine Pacman Complex: Controllable Folding/Unfolding Modulated by Weak Intermolecular Interactions
• Authors of publication: Yang Cao; Michael O. Wolf; Brian O. Patrick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5636 - 5638
• a: 15.0438 ± 0.0005 Å
• b: 35.6738 ± 0.0012 Å
• c: 17.2925 ± 0.0005 Å
• α: 90°
• β: 99.765 ± 0.001°
• γ: 90°
• Cell volume: 9145.9 ± 0.5 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.1127
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No