Information card for entry 2200744

Structure parameters

• Chemical name: Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(phenylamino)ethanoximato]copper(II)}
• Formula: C40 H36 Cl4 Cu2 N4 O2
• Calculated formula: C40 H36 Cl4 Cu2 N4 O2
• SMILES: [C@H]1(C(c2ccccc2)=[N]([Cu]2([NH]1c1ccccc1)([Cl][Cu]1([NH]([C@H](C(c3ccccc3)=[N]1O)c1ccccc1)c1ccccc1)([Cl]2)Cl)Cl)O)c1ccccc1
• Title of publication: Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(phenylamino)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: m524 - m526
• a: 9.1739 ± 0.0003 Å
• b: 22.1696 ± 0.0007 Å
• c: 9.4404 ± 0.0003 Å
• α: 90°
• β: 104.592 ± 0.001°
• γ: 90°
• Cell volume: 1858.07 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes