Information card for entry 7015396

Structure parameters

• Formula: C50 H62 B2 F8 Fe N12 O14
• Calculated formula: C50 H62 B2 F8 Fe N12 O14
• SMILES: [B](F)(F)(F)[F-].c12ccc(c[n]2[Fe]23([n]4c1ccc(c4)NC(=O)OCC)([n]1c(ccc(c1)NC(=O)OCC)c1[n]3cc(cc1)NC(=O)OCC)[n]1c(ccc(c1)NC(=O)OCC)c1ccc(NC(=O)OCC)c[n]21)NC(=O)OCC.OC.[B](F)(F)(F)[F-].OC
• 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: 18.774 ± 0.017 Å
• b: 25.57 ± 0.02 Å
• c: 15.47 ± 0.02 Å
• α: 90°
• β: 117.83 ± 0.03°
• γ: 90°
• Cell volume: 6567 ± 12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No