Information card for entry 2016956

Structure parameters

• Chemical name: poly[μ~3~-bromido-(pyridine-3-carboxylato-κN)copper(I)]
• Formula: C6 H5 Br Cu N O2
• Calculated formula: C6 H5 Br Cu N O2
• Title of publication: A novel three-dimensional copper(I) coordination polymer constructed from a copper‒bromide net and nicotinic acid ligands
• Authors of publication: Yang, Ming-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m59 - m61
• a: 3.8738 ± 0.0005 Å
• b: 30.379 ± 0.004 Å
• c: 6.3055 ± 0.0001 Å
• α: 90°
• β: 93.001 ± 0.001°
• γ: 90°
• Cell volume: 741.03 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes