Information card for entry 7018865

Structure parameters

• Formula: C28.5 H23 Cu2 N4 O9
• Calculated formula: C28.454 H20.908 Cu2 N4 O9
• Title of publication: 2D Coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.
• Authors of publication: Sun, Ya-Qiu; Xu, Yan-Yan; Gao, Dong-Zhao; Zhang, Guo-Ying; Liu, Yiao-Xu; Wang, Jing; Liao, Dai-Zheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 5704 - 5714
• a: 11.1511 ± 0.0006 Å
• b: 15.017 ± 0.0008 Å
• c: 16.4209 ± 0.0009 Å
• α: 90°
• β: 103.61 ± 0.001°
• γ: 90°
• Cell volume: 2672.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No