Information card for entry 7702739

Structure parameters

• Formula: C42 H68 Br2 Cl3 Cu3 N13 O13
• Calculated formula: C42 H66 Br2 Cl3 Cu3 N13 O13
• Title of publication: Synthesis, crystal structure and properties of the first trinuclear copper(ii) cryptate bridged by an imidazole anion
• Authors of publication: Chen, Qiu-Yun; Pan, Zhi-Quan; Luo, Qin-Hui; Zhen, Li-Ming; Hu, Xue-Lei; Wang, Zhi-Lin; Zhou, Zhong-Yuan; Yeung, Chi-Hung
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1315
• a: 13.2283 ± 0.0013 Å
• b: 20.941 ± 0.002 Å
• c: 20.875 ± 0.002 Å
• α: 90°
• β: 94.782 ± 0.002°
• γ: 90°
• Cell volume: 5762.5 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.1948
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No