Information card for entry 1562000

Structure parameters

• Formula: C30 H32 Cu N2 O8
• Calculated formula: C30 H32 Cu N2 O8
• SMILES: C(=C\C(=O)O[Cu]([n]1ccccc1)([n]1ccccc1)OC(=O)/C=C/c1cc(ccc1)O)/c1cc(ccc1)O.OC.OC
• Title of publication: A new coordination mode of (E)-3-(3-hydroxyl-phenyl)-acrylic acid in copper complex: Crystal structure and magnetic properties
• Authors of publication: Jin, Xin; Zhou, Pei; Zheng, Chunying; Li, Hui
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 225
• Pages of publication: 41 - 44
• a: 9.6065 ± 0.0016 Å
• b: 14.179 ± 0.002 Å
• c: 10.494 ± 0.0018 Å
• α: 90°
• β: 92.379 ± 0.002°
• γ: 90°
• Cell volume: 1428.2 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No