Information card for entry 7015401

Structure parameters

• Formula: C38 H54 Cl2 Cu N8 O19 S3
• Calculated formula: C38 H54 Cl2 Cu N8 O19 S3
• 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: 9.5168 ± 0.0011 Å
• b: 15.5544 ± 0.0019 Å
• c: 18.715 ± 0.002 Å
• α: 75.716 ± 0.002°
• β: 89.987 ± 0.002°
• γ: 79.958 ± 0.002°
• Cell volume: 2640.9 ± 0.5 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: 0.0741
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No