Information card for entry 7219179

Structure parameters

• Formula: C32 H28 Cu2 N12 O
• Calculated formula: C32 H28 Cu2 N12 O
• SMILES: c1cccc2c3ccc4[n]53[Cu]3([n]12)(N=N#N)[n]12c(ccc1c1[n]3cccc1)c1cccc[n]1[Cu]52([n]1c4cccc1)N=N#N.C1CCCO1
• 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: 8.2247 ± 0.0001 Å
• b: 33.0397 ± 0.0005 Å
• c: 11.3562 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3085.95 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No