Information card for entry 7018522

Structure parameters

• Formula: C21 H17 Br7 Cu5 N4
• Calculated formula: C21 H17 Br7 Cu5 N4
• 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: 10.3551 ± 0.0009 Å
• b: 27.263 ± 0.002 Å
• c: 11.1239 ± 0.001 Å
• α: 90°
• β: 112.78 ± 0.002°
• γ: 90°
• Cell volume: 2895.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No