Information card for entry 2211676

Structure parameters

• Chemical name: {1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole-κN^3^}(perchlorato- κO)[tris(2-aminoethyl)amine-κ^4^N]copper(II) perchlorate
• Formula: C28 H35 Cl3 Cu N6 O8
• Calculated formula: C28 H35 Cl3 Cu N6 O8
• SMILES: [Cu]123([n]4cn(C(c5c(Cl)cccc5)(c5ccccc5)c5ccccc5)cc4)([N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: {1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}(perchlorato-κ<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]copper(II) perchlorate
• Authors of publication: Zhen-Ming Zhang; Yi-Cui Jin; Da-Qi Wang; Jian Gao; Tong-Tao Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3414 - m3415
• a: 7.7303 ± 0.0016 Å
• b: 21.938 ± 0.005 Å
• c: 18.932 ± 0.004 Å
• α: 90°
• β: 94.614 ± 0.003°
• γ: 90°
• Cell volume: 3200.2 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes