Information card for entry 4327278

Structure parameters

• Common name: N,N'-bis(2-chloroacetyl)-N,N'-dimethylethylenediamine
• Chemical name: N,N'-bis(2-chloroacetyl)-N,N'-dimethylethylenediamine
• Formula: C4 H7 Cl N O
• Calculated formula: C4 H7 Cl N O
• Title of publication: Synthesis, X-ray Crystal Structures, Magnetism, and Phosphate Ester Cleavage Properties of Copper(II) Complexes of N-Substituted Derivatives of 1,4,7-Triazacyclononane
• Authors of publication: Matthew J. Belousoff; Martin B. Duriska; Bim Graham; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 3746 - 3755
• a: 9.975 ± 0.002 Å
• b: 8.0632 ± 0.0016 Å
• c: 13.679 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No