Information card for entry 7030187

Structure parameters

• Formula: C38 H26 Cu N6 O18
• Calculated formula: C38 H22 Cu N6 O18.001
• 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: 7.7438 ± 0.0015 Å
• b: 10.058 ± 0.002 Å
• c: 13.769 ± 0.003 Å
• α: 101.96 ± 0.03°
• β: 105.94 ± 0.03°
• γ: 104.09 ± 0.03°
• Cell volume: 956 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No