Information card for entry 7033682

Structure parameters

• Formula: C60 H52 F18 N11 O2 P3 Zn2
• Calculated formula: C60 H52 F18 N11 O2 P3 Zn2
• Title of publication: Deliberate boxes and accidental wheels.
• Authors of publication: Kaur, Gurpreet; Polson, Matthew I. J.; Hartshorn, Richard M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4200 - 4206
• a: 35.189 ± 0.002 Å
• b: 14.868 ± 0.0006 Å
• c: 26.4641 ± 0.0016 Å
• α: 90°
• β: 109.638 ± 0.007°
• γ: 90°
• Cell volume: 13040.4 ± 1.3 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.1272
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No