Information card for entry 2014435

Structure parameters

• Formula: C11 H8 Br Cu N O3
• Calculated formula: C11 H8 Br Cu N O3
• SMILES: Br[Cu]12([O](c3cccc4ccc[n]2c34)CC(=O)O1)[O]=C1O[Cu](Br)[n]2cccc3cccc(OC1)c23
• Title of publication: A one-dimensional carboxylate-bridged helical copper(II) complex containing (quinolin-8-yloxy)acetate
• Authors of publication: Wang, Yu-Hong; Lū, Fang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m557 - m559
• a: 9.733 ± 0.005 Å
• b: 6.725 ± 0.003 Å
• c: 17.066 ± 0.009 Å
• α: 90°
• β: 102.922 ± 0.008°
• γ: 90°
• Cell volume: 1088.8 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes