Information card for entry 7020009

Structure parameters

• Formula: C70 H100 Cl6 N16 O3 S8
• Calculated formula: C70 H100 Cl6 N16 O3 S8
• Title of publication: Encapsulation of divalent tetrahedral oxyanions of sulfur within the rigidified dimeric capsular assembly of a tripodal receptor: first crystallographic evidence of thiosulfate encapsulation within neutral receptor capsule.
• Authors of publication: Basu, Arghya; Das, Gopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10792 - 10802
• a: 13.7854 ± 0.0014 Å
• b: 25.836 ± 0.003 Å
• c: 48.851 ± 0.005 Å
• α: 90°
• β: 95.818 ± 0.006°
• γ: 90°
• Cell volume: 17309 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1951
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2616
• Weighted residual factors for all reflections included in the refinement: 0.3113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No