Information card for entry 2001382

Structure parameters

• Chemical name: μ-oxamidato-bis-[1,4,7-trimethyl-1,4,7-triazacyclononane copper(II)] (triiodide)(iodide)
• Formula: C20 H44 Cu2 I4 N8 O2
• Calculated formula: C20 H42 Cu2 I4 N6 O4
• Title of publication: Ring cleavage of imidazole to oxamide by reaction with dioxygen in the presence of a Cu^I^‒amine complex. Structure of μ-oxamidato-bis[(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II)] triiodide iodide
• Authors of publication: Flörke, U.; Haupt, H.-J.; Karpenstein, I.; Chaudhuri, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 1625 - 1627
• a: 7.851 ± 0.002 Å
• b: 15.851 ± 0.003 Å
• c: 26.854 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3341.9 ± 1.1 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.622
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No