Information card for entry 4322676

Structure parameters

• Common name: 96110
• Formula: C21 H43 Cl Cu N5 O5
• Calculated formula: C21 H43 Cl Cu N5 O5
• Title of publication: Synthesis and Copper Coordination Chemistry of Hindered 1,4,7-Triazacyclononane Ligands with Amide Appendages
• Authors of publication: Lisa M. Berreau; Jason A. Halfen; Victor G. Young; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1091 - 1098
• a: 15.0617 ± 0.0005 Å
• b: 18.2953 ± 0.0006 Å
• c: 19.7456 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5441.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections: 0.1403
• Weighted residual factors for significantly intense reflections: 0.1324
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No