Information card for entry 2200753

Structure parameters

• Chemical name: Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(4-chlorophenylamino)ethanoximato]- copper(II)}
• Formula: C40 H34 Cl6 Cu2 N4 O2
• Calculated formula: C40 H34 Cl6 Cu2 N4 O2
• SMILES: O[N]1=C([C@@H](c2ccccc2)[NH]([Cu]21([Cl][Cu]1([NH]([C@H](C(c3ccccc3)=[N]1O)c1ccccc1)c1ccc(cc1)Cl)([Cl]2)Cl)Cl)c1ccc(cc1)Cl)c1ccccc1
• Title of publication: Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(4-chlorophenylamino)ethanoximato]copper(II)}
• Authors of publication: Puschmann, Horst; Batsanov, Andrei S.; 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: 11
• Pages of publication: m551 - m552
• a: 20.642 ± 0.0006 Å
• b: 11.5573 ± 0.0004 Å
• c: 17.7307 ± 0.0005 Å
• α: 90°
• β: 104.666 ± 0.001°
• γ: 90°
• Cell volume: 4092.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes