Information card for entry 7037797

Structure parameters

• Formula: C5 H6 Br Cu4 N9
• Calculated formula: C5 H6 Br Cu4 N9
• Title of publication: A novel 3D Cu(i) coordination polymer based on Cu6Br2 and Cu2(CN)2 SBUs: in situ ligand formation and use as a naked-eye colorimetric sensor for NB and 2-NT.
• Authors of publication: Song, Jiang-Feng; Li, Yang; Zhou, Rui-Sha; Hu, Tuo-Ping; Wen, Yan-Liang; Shao, Jia; Cui, Xiao-Bing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 545 - 551
• a: 13.043 ± 0.003 Å
• b: 8.1888 ± 0.0016 Å
• c: 11.148 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1190.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No