Information card for entry 2014941

Structure parameters

• Formula: C60 H54 Cl6 Cu N6 O4
• Calculated formula: C60 H54 Cl6 Cu N6 O4
• SMILES: C1(=O)N(C(=O)C(c2ccccc2)(N1)c1ccccc1)[Cu]([NH2]CC(c1ccccc1)c1ccccc1)(N1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)[NH2]CC(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: <i>trans</i>-Bis(2,2-diphenylethylamine-κ<i>N</i>)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) and its chloroform disolvate
• Authors of publication: Akitsu, Takashiro; Einaga, Yasuaki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m183 - m186
• a: 19.37 ± 0.01 Å
• b: 29.796 ± 0.007 Å
• c: 9.91 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5720 ± 4 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No