Information card for entry 4122936

Structure parameters

• Common name: Cu(2,7-AQDC)
• Chemical name: Copper 2,7-anthraquinone dicarboxylate
• Formula: C16 H6 Cu O6
• Calculated formula: C16 H6 Cu O6
• Title of publication: Monitoring the Solid-State Electrochemistry of Cu(2,7-AQDC) (AQDC = Anthraquinone Dicarboxylate) in a Lithium Battery: Coexistence of Metal and Ligand Redox Activities in a Metal-Organic Framework.
• Authors of publication: Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141110144839000
• a: 13.78 ± 0.003 Å
• b: 16.661 ± 0.003 Å
• c: 19.202 ± 0.004 Å
• α: 104.86 ± 0.03°
• β: 106.47 ± 0.03°
• γ: 104.87 ± 0.03°
• Cell volume: 3820 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1757
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No