Information card for entry 7018523

Structure parameters

• Formula: C21 H17 Br6 Cu4 N4
• Calculated formula: C21 H17 Br6 Cu4 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: 9.3227 ± 0.0008 Å
• b: 8.3368 ± 0.0008 Å
• c: 35.52 ± 0.003 Å
• α: 90°
• β: 91.218 ± 0.002°
• γ: 90°
• Cell volume: 2760 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No