Information card for entry 7021981

Structure parameters

• Formula: C36 H84 Cu11 I3 O12 P6 S13
• Calculated formula: C36 H84 Cu11 I3 O12 P6 S13
• Title of publication: Substitution reactions on a hypercoordinated main-group element encapsulated in a pentacapped trigonal prismatic copper cage.
• Authors of publication: Li, Bing; Liao, Jian-Hong; Tang, Hao-Tsan; Li, Yi-Juan; Liu, C. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 40
• Pages of publication: 14384 - 14387
• a: 37.6 ± 0.004 Å
• b: 17.9079 ± 0.0017 Å
• c: 27.46 ± 0.003 Å
• α: 90°
• β: 104.703 ± 0.002°
• γ: 90°
• Cell volume: 17884 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No