Information card for entry 7201900

Structure parameters

• Formula: C34 H22 B2 Cu F8 N6 O4
• Calculated formula: C34 H22 B2 Cu F8 N6 O4
• SMILES: [B](F)(F)(F)[F-].c1ccc2c[n]1[Cu]1([n]3cc(C(=O)c4nc(C2=O)ccc4)ccc3)[n]2cccc(c2)C(=O)c2cccc(n2)C(=O)c2c[n]1ccc2.[B](F)(F)(F)[F-]
• Title of publication: Supramolecular frameworks assembled via intermolecular lone pair-aromatic interaction between carbonyl and pyridyl groups
• Authors of publication: Wan, Chong-Qing; Chen, Xu-Dong; Mak, Thomas C. W.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 475
• a: 10.2844 ± 0.0011 Å
• b: 17.7865 ± 0.0018 Å
• c: 9.3905 ± 0.001 Å
• α: 90°
• β: 94.38 ± 0.002°
• γ: 90°
• Cell volume: 1712.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No