Information card for entry 2204068

Structure parameters

• Chemical name: μ-1,5-Dicyanamido-bis[chloro(1,4,7-triazacyclononane)copper(II)] perchlorate
• Formula: C14 H30 Cl3 Cu2 N9 O4
• Calculated formula: C14 H30 Cl3 Cu2 N9 O4
• SMILES: [Cu]12(Cl)([NH]3CC[NH]1CC[NH]2CC3)[N]#CN=C=N[Cu]12(Cl)[NH]3CC[NH]1CC[NH]2CC3.Cl(=O)(=O)(=O)[O-]
• Title of publication: μ-1,5-Dicyanamido-bis[chloro(1,4,7-triazacyclononane)copper(II)] perchlorate
• Authors of publication: Zhao-Dong Wang; Wei Han; Shi-Ping Yan; Dai-Zheng Liao; Zong-Hui Jiang; Peng Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1137 - m1138
• a: 17.882 ± 0.006 Å
• b: 7.494 ± 0.003 Å
• c: 18.596 ± 0.006 Å
• α: 90°
• β: 105.2 ± 0.005°
• γ: 90°
• Cell volume: 2404.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes