Information card for entry 4114218

Structure parameters

• Formula: C58 H68 F12 N6 O13 P4 Pt2 S4
• Calculated formula: C58 H68 F12 N6 O13 P4 Pt2 S4
• Title of publication: Dynamic Equilibrium of a Supramolecular Dimeric Rhomboid and Trimeric Hexagon and Determination of Its Thermodynamic Constants
• Authors of publication: Takuya Yamamoto; Atta M. Arif; Peter J. Stang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12309 - 12317
• a: 8.7747 ± 0.0001 Å
• b: 8.898 ± 0.0001 Å
• c: 24.3946 ± 0.0004 Å
• α: 99.106 ± 0.001°
• β: 95.762 ± 0.001°
• γ: 99.214 ± 0.001°
• Cell volume: 1840.88 ± 0.04 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0331
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No