Information card for entry 7117634

Structure parameters

• Formula: C70 H68 N16 O8 Zn
• Calculated formula: C70 H68 N16 O8 Zn
• Title of publication: Control of the cavity size of flexible covalent cages by silver coordination to the peripheral binding sites
• Authors of publication: Lucas Kocher; Stephanie Durot; Valerie Heitz
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13181
• a: 14.4171 ± 0.001 Å
• b: 16.6908 ± 0.0012 Å
• c: 17.855 ± 0.0013 Å
• α: 63.51 ± 0.002°
• β: 76.303 ± 0.001°
• γ: 74.915 ± 0.001°
• Cell volume: 3676.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No