Information card for entry 7214755

Structure parameters

• Formula: C8 H4 Cl Cu N2 O
• Calculated formula: C8 H4 Cl Cu N2 O
• Title of publication: Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ
• Authors of publication: Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8620
• a: 3.8062 ± 0.0004 Å
• b: 9.0241 ± 0.0009 Å
• c: 11.0195 ± 0.0007 Å
• α: 76.628 ± 0.008°
• β: 89.855 ± 0.007°
• γ: 85.583 ± 0.008°
• Cell volume: 367.09 ± 0.06 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No