Information card for entry 4079034

Structure parameters

• Formula: C30 H48 Cl7 Cu4 N3
• Calculated formula: C30 H48 Cl7 Cu4 N3
• SMILES: [CH2]1[Cu]2([Cl][Cu]3(Cl)[Cl][Cu]4([CH](C[NH+](Cc5c(c(c(c(c5C)C[NH+](CC=C)C[CH]5=[CH2][Cu]5([Cl]3)Cl)C)C[NH+](CC=C)C[CH]=12)C)CC=C)=[CH2]4)Cl)Cl
• Title of publication: Solvothermal Syntheses and Physical Properties of Noncentrosymmetric Olefin‒Copper(I) Coordination Compounds
• Authors of publication: Ye, Qiong; Liu, Ming-Liang; Chen, Zi-Qi; Sun, Su-Wen; Xiong, Ren-Gen
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 22
• Pages of publication: 7862
• a: 14.233 ± 0.002 Å
• b: 14.233 ± 0.002 Å
• c: 40.08 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7032 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No