Information card for entry 7026318

Structure parameters

• Formula: C53 H54 Cu2 N6 O11
• Calculated formula: C53 H54 Cu2 N6 O11
• Title of publication: Dimetallic complexes of macrocycles with two rigid dibenzofuran units as receptors for detection of anionic substrates.
• Authors of publication: Li, Feng; Carvalho, Sílvia; Delgado, Rita; Drew, Michael G. B.; Félix, Vítor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9579 - 9587
• a: 12.9418 ± 0.0014 Å
• b: 12.9883 ± 0.0012 Å
• c: 15.6222 ± 0.0014 Å
• α: 90°
• β: 112.356 ± 0.009°
• γ: 90°
• Cell volume: 2428.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1861
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No