Information card for entry 7020008

Structure parameters

• Formula: C86 H132 Cl6 N16 O4 S7
• Calculated formula: C86 H132 Cl6 N16 O4 S7
• 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: 13.8087 ± 0.0007 Å
• b: 14.3169 ± 0.0007 Å
• c: 26.6346 ± 0.0014 Å
• α: 93.887 ± 0.003°
• β: 98.29 ± 0.003°
• γ: 97.087 ± 0.003°
• Cell volume: 5151.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2527
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No