Information card for entry 2220882

Structure parameters

• Chemical name: Di-μ-chlorido-bis[chlorido(1,4,6-trimethyl-6-nitro-1,4-diazepine)copper(II)]
• Formula: C16 H34 Cl4 Cu2 N6 O4
• Calculated formula: C16 H34 Cl4 Cu2 N6 O4
• SMILES: C1[N]2(C)[Cu]3(Cl)([Cl][Cu]4([N]5(CC(C[N]4(CC5)C)(C)N(=O)=O)C)(Cl)[Cl]3)[N](CC1(N(=O)=O)C)(CC2)C
• Title of publication: Di-μ-chlorido-bis[chlorido(1,4,6-trimethyl-6-nitro-1,4-diazepine)copper(II)]
• Authors of publication: Bortoluzzi, Adailton J.; Neves, Ademir; Peralta, Rosely A.; Camargo, Tiago P.; Weiss, Vitor C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m144 - m145
• a: 10.5478 ± 0.0002 Å
• b: 10.9251 ± 0.0002 Å
• c: 11.443 ± 0.0002 Å
• α: 90°
• β: 102.297 ± 0.001°
• γ: 90°
• Cell volume: 1288.39 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes