Information card for entry 7027490

Structure parameters

• Formula: C8 H12 Cl Cu N3 O7
• Calculated formula: C8 H12 Cl Cu N3 O7
• Title of publication: Synthesis, crystal structures and properties of copper(II) complexes of Schiff base derivatives containing imidazole and β-alanine groups
• Authors of publication: Long, La-Sheng; Yang, Shi-Ping; Tong, Ye-Xiang; Mao, Zong-Wan; Chen, Xiao-Ming; Ji, Liang-Nian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1999
• a: 12.793 ± 0.01 Å
• b: 13.167 ± 0.008 Å
• c: 7.731 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1302.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1858
• 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