Information card for entry 7034822

Structure parameters

• Formula: C30 H62 B2 Cu F8 N4 O5
• Calculated formula: C30 H62 B2 Cu F8 N4 O5
• Title of publication: Copper malonamide complexes and their use in azide-alkyne cycloaddition reactions.
• Authors of publication: Bent, S. J.; Mahon, M. F.; Webster, R. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10253 - 10258
• a: 21.1798 ± 0.0002 Å
• b: 12.69988 ± 0.00012 Å
• c: 14.89542 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4006.58 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1058
• 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: Yes
• Has Fobs: No