Information card for entry 2220809

Structure parameters

• Chemical name: (11,13-Dimethyl-1,4,7,10-tetraazacyclotrideca-10,13-dienato)copper(II) perchlorate
• Formula: C11 H21 Cl Cu N4 O4
• Calculated formula: C11 H21 Cl Cu N4 O4
• SMILES: C1=C(C)N2[Cu]34[N](=C1C)CC[NH]3CC[NH]4CC2.[O-]Cl(=O)(=O)=O
• Title of publication: (11,13-Dimethyl-1,4,7,10-tetraazacyclotrideca-10,13-dienato)copper(II) perchlorate
• Authors of publication: He, Xiao-qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m205
• a: 12.53 ± 0.005 Å
• b: 14.469 ± 0.006 Å
• c: 8.501 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1541.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes