Information card for entry 2210300

Structure parameters

• Chemical name: {tris[2-(5-methylimidazol-4-ylmethylimino)ethyl]amino}copper(II) bis(perchlorate)
• Formula: C21 H30 Cl2 Cu N10 O8
• Calculated formula: C21 H30 Cl2 Cu N10 O8
• SMILES: [Cu]12345[N](CCN(CC[N]2=Cc2[n]3c[nH]c2C)CC[N]4=Cc2[n]5c[nH]c2C)=Cc2[n]1c[nH]c2C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A second polymorph of {tris[2-(5-methylimidazol-4-ylmethylimino)ethyl]amino}copper(II) diperchlorate
• Authors of publication: He, Hong-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2156 - m2158
• a: 10.7278 ± 0.0006 Å
• b: 13.8859 ± 0.0006 Å
• c: 11.1108 ± 0.0007 Å
• α: 90°
• β: 118.22 ± 0.002°
• γ: 90°
• Cell volume: 1458.39 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes