Information card for entry 4101992

Structure parameters

• Formula: C75 H114 Cl6 N15 O4.5 S8 Sn8
• Calculated formula: C75 H104 Cl6 N15 O4.5 S8 Sn8
• Title of publication: Directed Formation of an Organotin Sulfide Cavitand and Its Transformation into a Rugby-Ball-like Capsule
• Authors of publication: Zohreh Hassanzadeh Fard; Mohammad Reza Halvagar; Stefanie Dehnen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2848 - 2849
• a: 19.434 ± 0.004 Å
• b: 28.124 ± 0.006 Å
• c: 19.367 ± 0.004 Å
• α: 90°
• β: 103 ± 0.03°
• γ: 90°
• Cell volume: 10314 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No