Information card for entry 7011325

Structure parameters

• Formula: C74 H120 Cl4 Co4 N16 O25
• Calculated formula: C74 H108 Cl4 Co4 N16 O25
• Title of publication: Cascade chemistry in azacryptand cages: bridging carbonates and methylcarbonates
• Authors of publication: Yann Dussart; Charlie Harding; Pia Dalgaard; Christine McKenzie; Renuka Kadirvelraj; Vickie McKee; Jane Nelson
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1704 - 1713
• a: 21.5207 ± 0.0011 Å
• b: 21.7232 ± 0.0011 Å
• c: 20.0882 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9391.2 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No