Information card for entry 4346733

Structure parameters

• Formula: C38 H42 N6 O2 Zn2
• Calculated formula: C38 H42 N6 O2 Zn2
• Title of publication: Macrocyclic Dizinc(II) Alkyl and Alkoxide Complexes: Reversible CO2 Uptake and Polymerization Catalysis Testing.
• Authors of publication: Romain, Charles; Bennington, Michael S.; White, Andrew J. P.; Williams, Charlotte K.; Brooker, Sally
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11842 - 11851
• a: 12.0878 ± 0.0005 Å
• b: 12.1033 ± 0.0006 Å
• c: 13.5035 ± 0.0005 Å
• α: 92.669 ± 0.003°
• β: 106.799 ± 0.004°
• γ: 108.762 ± 0.004°
• Cell volume: 1769.44 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.051
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No