Information card for entry 7027386

Structure parameters

• Formula: C20 H16 Br2 Cu2 N4
• Calculated formula: C20 H16 Br2 Cu2 N4
• Title of publication: The first structurally characterized 3,4′-bipyridine copper(I) coordination polymer with an approximately rectangular molecular box
• Authors of publication: Fun, Hoong-Kun; Raj, S. Shanmuga Sundara; Xiong, Ren-Gen; Zuo, Jing-Lin; Yu, Zhi; Zhu, Xiao-Lei; You, Xiao-Zeng
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 1711
• a: 9.4944 ± 0.0001 Å
• b: 12.9445 ± 0.0002 Å
• c: 16.9514 ± 0.0001 Å
• α: 90°
• β: 90.924 ± 0.001°
• γ: 90°
• Cell volume: 2083.06 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No