Information card for entry 7042089

Structure parameters

• Formula: C34 H49 Cu N7 O8 S
• Calculated formula: C34 H49 Cu N7 O8 S
• Title of publication: Ditopic receptors containing urea groups for solvent extraction of Cu(ii) salts.
• Authors of publication: Carreira-Barral, Israel; Mato-Iglesias, Marta; de Blas, Andrés; Platas-Iglesias, Carlos; Tasker, Peter A.; Esteban-Gómez, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3192 - 3206
• a: 10.1147 ± 0.0004 Å
• b: 10.8086 ± 0.0004 Å
• c: 16.8713 ± 0.0007 Å
• α: 76.478 ± 0.002°
• β: 78.801 ± 0.002°
• γ: 79.307 ± 0.002°
• Cell volume: 1740.1 ± 0.12 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: 0.053
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No