Information card for entry 2202196

Structure parameters

• Chemical name: [1-(benzimidazol-2-ylmethyl)-1,4,7-triazacyclononane]chlorocopper(II) perchlorate
• Formula: C14 H21 Cl2 Cu N5 O4
• Calculated formula: C14 H21 Cl2 Cu N5 O4
• SMILES: [Cu]123(Cl)[N]4(CC[NH]1CC[NH]2CC4)Cc1[n]3c2c(cccc2)[nH]1.Cl(=O)(=O)(=O)[O-]
• Title of publication: [1-(Benzimidazol-2-ylmethyl)-1,4,7-triazacyclononane]chlorocopper(II) perchlorate
• Authors of publication: Li, Qing-Xiang; Li, Yi-Zhi; Luo, Qin-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: m23 - m25
• a: 10.336 ± 0.001 Å
• b: 13.428 ± 0.001 Å
• c: 13.051 ± 0.001 Å
• α: 90°
• β: 99.56 ± 0.02°
• γ: 90°
• Cell volume: 1786.2 ± 0.3 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: 0.0472
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes