Information card for entry 7006285

Structure parameters

• Formula: C24 H50 F6 N6 O6 S2
• Calculated formula: C24 H49 F6 N6 O6 S2
• Title of publication: Octahedral and trigonal prismatic structure preferences in a bicyclic hexaamine cage for zinc(II), cadmium(II) and mercury(II) ions.
• Authors of publication: Bygott, Alexia M. T.; Geue, Rodney J.; Ralph, Stephen F.; Sargeson, Alan M.; Willis, Anthony C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4778 - 4787
• a: 10.713 ± 0.001 Å
• b: 13.768 ± 0.001 Å
• c: 23.554 ± 0.001 Å
• α: 90°
• β: 91.05 ± 0.01°
• γ: 90°
• Cell volume: 3473.6 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 3.23
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No