Information card for entry 7708009

Structure parameters

• Formula: C40 H46 Cu2 F2 N4 O4
• Calculated formula: C40 H46 Cu2 F2 N4 O4
• Title of publication: Breaking the symmetry: <i>C</i>₁-salans with (N-H) backbones.
• Authors of publication: Devonport, Jack; Spencer, John; Kostakis, George E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 12069 - 12073
• a: 9.0899 ± 0.0005 Å
• b: 9.3275 ± 0.0006 Å
• c: 10.9768 ± 0.0005 Å
• α: 79.623 ± 0.005°
• β: 89.276 ± 0.004°
• γ: 67.85 ± 0.005°
• Cell volume: 846.33 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No