Information card for entry 7015425

Structure parameters

• Formula: C28.5 H22 Cd Cu N4 O8.5
• Calculated formula: C28.5 H20.5 Cd Cu N4 O8.5
• Title of publication: Coordination polymers of macrocyclic oxamide with 1,3,5-benzenetricarboxylate: syntheses, crystal structures and magnetic properties.
• Authors of publication: Sun, Ya-Qiu; Gao, Dong-Zhao; Xu, Yan-Yan; Zhang, Guo-Ying; Fan, Lan-Lan; Li, Cheng-Peng; Hu, Tong-Liang; Liao, Dai-Zheng; Zhang, Chen-Xi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5528 - 5537
• a: 10.021 ± 0.003 Å
• b: 13.739 ± 0.004 Å
• c: 18.812 ± 0.005 Å
• α: 90°
• β: 91.981 ± 0.004°
• γ: 90°
• Cell volume: 2588.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No