Information card for entry 2200754

Structure parameters

• Formula: C42 H40 Cl4 Cu2 N4 O2
• Calculated formula: C42 H40 Cl4 Cu2 N4 O2
• SMILES: [Cu]12(Cl)([N](O)=C([C@@H]([NH]1c1ccc(C)cc1)c1ccccc1)c1ccccc1)[Cl][Cu]1([Cl]2)(Cl)[N](O)=C([C@H]([NH]1c1ccc(C)cc1)c1ccccc1)c1ccccc1
• Title of publication: Di-μ-chloro-bis{chloro[2-(4-methylphenylamino)-1,2-diphenylethanoximato]copper(II)}
• Authors of publication: Puschmann, Horst; Howard, Judith A. K.; Soto, Bernardino; Bonne, Raul; Au-Alvarez, Oscar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: m581 - m583
• a: 14.8811 ± 0.0005 Å
• b: 12.9287 ± 0.0004 Å
• c: 21.7718 ± 0.0006 Å
• α: 90°
• β: 101.569 ± 0.001°
• γ: 90°
• Cell volume: 4103.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes