Information card for entry 4108636

Structure parameters

• Formula: C403 H343 B16 F64 N87 O31 Zn8
• Calculated formula: C403 H343 B9 F36 N87 O31 Zn8
• Title of publication: Octanuclear Cubic Coordination Cages
• Authors of publication: Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15167 - 15175
• a: 26.5388 ± 0.0014 Å
• b: 26.5941 ± 0.0013 Å
• c: 30.384 ± 0.002 Å
• α: 99.664 ± 0.003°
• β: 113.727 ± 0.003°
• γ: 110.117 ± 0.002°
• Cell volume: 17224.3 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1469
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2885
• Weighted residual factors for all reflections included in the refinement: 0.3114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No