Information card for entry 7015399

Structure parameters

• Formula: C48 H58 N14 O20 Zn
• Calculated formula: C48 H54 N14 O20.03 Zn
• Title of publication: Anion binding by metallo-receptors of 5,5'-dicarbamate-2,2'-bipyridine ligands.
• Authors of publication: Wu, Biao; Yang, Jin; Huang, Xiaojuan; Li, Shaoguang; Jia, Chuandong; Yang, Xiao-Juan; Tang, Ning; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 21
• Pages of publication: 5687 - 5696
• a: 13.499 ± 0.002 Å
• b: 13.499 ± 0.002 Å
• c: 18.54 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2925.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No