Information card for entry 7038907

Structure parameters

• Formula: C132 H192 Cu29 N60 O34
• Calculated formula: C132 H159 Cu29 N60 O34
• Title of publication: Tuning the structure and solubility of nanojars by peripheral ligand substitution, leading to unprecedented liquid-liquid extraction of the carbonate ion from water into aliphatic solvents.
• Authors of publication: Ahmed, Basil M.; Calco, Brice; Mezei, Gellert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8327 - 8339
• a: 30.0687 ± 0.0006 Å
• b: 26.6625 ± 0.0005 Å
• c: 26.2115 ± 0.0005 Å
• α: 90°
• β: 117.373 ± 0.001°
• γ: 90°
• Cell volume: 18661.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No