Information card for entry 7021979

Structure parameters

• Formula: C36 H84 Br4 Cu11 F6 O12 P7 S12
• Calculated formula: C36 H84 Br4 Cu11 F6 O12 P7 S12
• 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: 14.7246 ± 0.0004 Å
• b: 15.2002 ± 0.0004 Å
• c: 21.1551 ± 0.0006 Å
• α: 103.022 ± 0.001°
• β: 107.119 ± 0.001°
• γ: 91.267 ± 0.001°
• Cell volume: 4388.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.047
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No