Information card for entry 7015398

Structure parameters

• Formula: C38 H54 Cl4 N8 O11 S3 Zn2
• Calculated formula: C38 H54 Cl4 N8 O11 S3 Zn2
• 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: 13.422 ± 0.004 Å
• b: 14.32 ± 0.004 Å
• c: 14.365 ± 0.004 Å
• α: 73.397 ± 0.004°
• β: 77.928 ± 0.004°
• γ: 80.2 ± 0.004°
• Cell volume: 2569.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No