Information card for entry 4334896

Structure parameters

• Formula: C78 H85 F6 N9 O6 Pt2 S5
• Calculated formula: C78 H85 F6 N9 O6 Pt2 S5
• 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: 17.5562 ± 0.0019 Å
• b: 17.5562 ± 0.0019 Å
• c: 21.389 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5709.3 ± 1.2 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No