Information card for entry 4314170

Structure parameters

• Formula: C20 H36 Cl4 Cu2 N6
• Calculated formula: C20 H36 Cl4 Cu2 N6
• SMILES: [Cu]12(Cl)(Cl)[N]3(CC[NH]1CC[NH]2CC3)Cc1ccc(C[N]23[Cu]4(Cl)(Cl)[NH](CC2)CC[NH]4CC3)cc1
• Title of publication: Binuclear Copper(II) Complexes of Xylyl-Bridged Bis(1,4,7-triazacyclononane) Ligands
• Authors of publication: Fiona H. Fry; Leone Spiccia; Paul Jensen; Boujemaa Moubaraki; Keith S. Murray; Edward R. T. Tiekink
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5594 - 5603
• a: 13.11 ± 0.02 Å
• b: 30.14 ± 0.01 Å
• c: 7.28 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2877 ± 6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.78
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No