Information card for entry 7205779

Structure parameters

• Formula: C12 H9 Cu2.5 N4 O10
• Calculated formula: C12 H9 Cu2.5 N4 O10
• Title of publication: Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand
• Authors of publication: Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2667
• a: 26.982 ± 0.008 Å
• b: 7.503 ± 0.002 Å
• c: 15.853 ± 0.004 Å
• α: 90°
• β: 109.316 ± 0.007°
• γ: 90°
• Cell volume: 3028.7 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No