Information card for entry 4503764

Structure parameters

• Formula: C30 H51 Br7 Cu4 N3 O2
• Calculated formula: C30 H51 Br7 Cu4 N3 O2
• SMILES: [Br]12[Cu]34([Br][Cu]52[Br][Cu]21(Br)[CH](C[NH+](CC=C)Cc1c(c(c(c(c1C)C[NH+](C[CH]3=[CH2]4)CC=C)C)C[NH+](C[CH]1[Cu]([Br]5)(Br)[CH2]=1)CC=C)C)=[CH2]2)Br.O.O
• Title of publication: Typical Ferroelectric Olefin-copper(I) Organometallic Oligmer with Flexible Organic Ligand
• Authors of publication: Ye, Qiong; Hang, Tian; Fu, Da-Wei; Xu, Guang-Hai; Xiong, Ren-Gen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3501
• a: 12.599 ± 0.007 Å
• b: 12.599 ± 0.007 Å
• c: 25.48 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4045 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No