Information card for entry 7011327

Structure parameters

• Formula: C40 H62.5 Cl3 N8.5 O16 Zn2
• Calculated formula: C40.004 H57 Cl2.997 N8.5 O15.998 Zn2
• 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: 27.9616 ± 0.0015 Å
• b: 33.7851 ± 0.0017 Å
• c: 10.9883 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10380.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.6885 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No