Information card for entry 2006146

Structure parameters

• Chemical name: Bis(2-(2-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-[H-imidazolyl-1-oxy 3-oxide)dichlorocopper(II) Bis(methylene chloride) Solvate
• Formula: C26 H36 Cl6 Cu N6 O4
• Calculated formula: C26 H36 Cl6 Cu N6 O4
• SMILES: N12O[Cu]3([n]4c(cccc4)C1=N(=O)C(C2(C)C)(C)C)(Cl)([n]1c(cccc1)C1N(O3)C(C(N=1=O)(C)C)(C)C)Cl.ClCCl.ClCCl
• Title of publication: Dichlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1<i>H</i>-imidazol-1-yloxy 3-oxide]copper(II) Bis(dichloromethane) Solvate
• Authors of publication: Ohba, Shigeru; Kato, Takanari; Yoshioka, Naoki; Inoue, Hidenari
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: IUC9700004
• a: 8.804 ± 0.002 Å
• b: 14.208 ± 0.001 Å
• c: 13.931 ± 0.001 Å
• α: 90°
• β: 103.57 ± 0.01°
• γ: 90°
• Cell volume: 1693.9 ± 0.4 ų
• Cell temperature: 298 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 significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0374
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No