Information card for entry 7219181

Structure parameters

• Formula: C43 H30 Cu2 F3 N9 O3 S
• Calculated formula: C43 H30 Cu2 F3 N9 O3 S
• SMILES: [Cu]12345[Cu]67([n]8ccccc8c8n6c(cc8)c6[n]1cccc6)([N]13C(=CC=C1c1[n]7cccc1)c1[n]2cccc1)[n]1ccccc1c1n4c(cc1)c1[n]5cccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Anion-directed Assembly of Helical Copper(II) Complexes Based on a Bispyridylpyrrole Ligand: Synthesis, Structural and Magnetic Properties
• Authors of publication: Fang, Wen-zhong; Wang, Ya-Ping; Wang, Yi-Fan; Zhang, Shou-chun; Yi, Xiao-Yi
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 18.6566 ± 0.0009 Å
• b: 11.8775 ± 0.0006 Å
• c: 19.2374 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4262.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No