Information card for entry 4112579

Structure parameters

• Formula: C55 H63 F3 N4 O6 P2 Pt S
• Calculated formula: C55 H63 F3 N4 O6 P2 Pt S
• Title of publication: Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion
• Authors of publication: Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6314 - 6326
• a: 14.0905 ± 0.0015 Å
• b: 18.562 ± 0.002 Å
• c: 20.621 ± 0.002 Å
• α: 81.74 ± 0.002°
• β: 79.988 ± 0.002°
• γ: 85.836 ± 0.002°
• Cell volume: 5249.9 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1682
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2788
• Weighted residual factors for all reflections included in the refinement: 0.3373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No