Information card for entry 7018524

Structure parameters

• Formula: C21 H17 Br4 Cu2 N4
• Calculated formula: C21 H17 Br4 Cu2 N4
• SMILES: [Br]([Cu]12(Br)[n]3c(c4[n]1c(c1[n]2cccc1)cc(c4)c1cc[n+](cc1)C)cccc3)[Cu](Br)Br
• Title of publication: In situ selective N-alkylation of pendant pyridyl functionality in mixed-valence copper complexes with methanol and copper(ii) bromide.
• Authors of publication: Feng, Da-Qian; Zhou, Xiao-Ping; Zheng, Ji; Chen, Guang-Hui; Huang, Xiao-Chun; Li, Dan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4255 - 4261
• a: 9.724 ± 0.002 Å
• b: 11.04 ± 0.003 Å
• c: 12.238 ± 0.003 Å
• α: 71.211 ± 0.004°
• β: 83.308 ± 0.004°
• γ: 65.455 ± 0.004°
• Cell volume: 1131.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No