Information card for entry 4322673

Structure parameters

• Common name: 96177
• Formula: C20 H44 Cl Cu F6 N4 O2 P
• Calculated formula: C20 H44 Cl Cu F6 N4 O2 P
• 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: 8.1388 ± 0.0002 Å
• b: 31.3786 ± 0.0004 Å
• c: 11.5194 ± 0.0002 Å
• α: 90°
• β: 103.095 ± 0.001°
• γ: 90°
• Cell volume: 2865.37 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.0926
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No