Information card for entry 7030189

Structure parameters

• Formula: C38 H26 Cu3 N6 O20
• Calculated formula: C38 H24 Cu3 N6 O20
• Title of publication: Synthesis, structures, and magnetic properties of four copper compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate.
• Authors of publication: Zhang, Jian-Yong; Li, Xiu-Bing; Wang, Kun; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12192 - 12199
• a: 13.702 ± 0.008 Å
• b: 11.056 ± 0.006 Å
• c: 27.727 ± 0.016 Å
• α: 90°
• β: 95.026 ± 0.008°
• γ: 90°
• Cell volume: 4184 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No