Information card for entry 7038908

Structure parameters

• Formula: C188 H294 Cu30 N62 O34
• Calculated formula: C174.5 H260 Cu30 N62 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: 22.5542 ± 0.0003 Å
• b: 23.0479 ± 0.0003 Å
• c: 26.4003 ± 0.0003 Å
• α: 90.645 ± 0.001°
• β: 102.627 ± 0.001°
• γ: 118.805 ± 0.001°
• Cell volume: 11625.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No